N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine

C19H29N5O — CID 136905240

IUPACN,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine
SMILESCc1cc2n(n1)C[C@H](CNCc1ccccc1OCCN(C)C)CN2
InChIInChI=1S/C19H29N5O/c1-15-10-19-21-12-16(14-24(19)22-15)11-20-13-17-6-4-5-7-18(17)25-9-8-23(2)3/h4-7,10,16,20-21H,8-9,11-14H2,1-3H3/t16-/m1/s1
InChIKeyBLROOACGEHAQEL-MRXNPFEDSA-N
MW343.48 g/mol
LogP1.96
Rot. Bonds8

About N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine

N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine (PubChem CID 136905240) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine
PubChem CID136905240
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine
SMILESCc1cc2n(n1)C[C@H](CNCc1ccccc1OCCN(C)C)CN2
InChIInChI=1S/C19H29N5O/c1-15-10-19-21-12-16(14-24(19)22-15)11-20-13-17-6-4-5-7-18(17)25-9-8-23(2)3/h4-7,10,16,20-21H,8-9,11-14H2,1-3H3/t16-/m1/s1
InChIKeyBLROOACGEHAQEL-MRXNPFEDSA-N
XLogP1.96
TPSA54.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine with MolForge

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Related Compounds

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136713538
N-[[3-(methoxymethyl)phenyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905132
N-[(2-methoxy-4-pyridinyl)methyl]-1-[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905217
N,N-dimethyl-3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]benzamide
CID 136713498
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
CID 136877397
1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 136905500
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905643
(2S)-1-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]-3-[(1R)-1-phenylethoxy]propan-2-ol
CID 136696918
(1S)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
CID 136857245
(1R)-1-(4-methoxyphenyl)-2-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]ethanol
CID 136857243
1-[(2S)-1-methylpyrrolidin-2-yl]-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 136905274
1-[3-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
CID 136716908

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine (CID 136905240) is N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine is Cc1cc2n(n1)C[C@H](CNCc1ccccc1OCCN(C)C)CN2.
What is the InChIKey of N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine?
The InChIKey is BLROOACGEHAQEL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15-10-19-21-12-16(14-24(19)22-15)11-20-13-17-6-4-5-7-18(17)25-9-8-23(2)3/h4-7,10,16,20-21H,8-9,11-14H2,1-3H3/t16-/m1/s1.
What are the key properties of N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine?
N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine has a molecular weight of 343.48 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]methyl]phenoxy]ethanamine is sourced from PubChem (CID 136905240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).