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

C18H26N4O2 — CID 136905493

IUPAC(1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NC[C@H]2CNc3cc(C)nn3C2)c(OC)c1
InChIInChI=1S/C18H26N4O2/c1-12-7-18-20-10-14(11-22(18)21-12)9-19-13(2)16-6-5-15(23-3)8-17(16)24-4/h5-8,13-14,19-20H,9-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyMNTFVTYJBIDDDA-KGLIPLIRSA-N
MW330.43 g/mol
LogP2.60
Rot. Bonds6

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

(1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine (PubChem CID 136905493) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
PubChem CID136905493
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
SMILESCOc1ccc([C@@H](C)NC[C@H]2CNc3cc(C)nn3C2)c(OC)c1
InChIInChI=1S/C18H26N4O2/c1-12-7-18-20-10-14(11-22(18)21-12)9-19-13(2)16-6-5-15(23-3)8-17(16)24-4/h5-8,13-14,19-20H,9-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyMNTFVTYJBIDDDA-KGLIPLIRSA-N
XLogP2.60
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine
CID 136905494
(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
(1S)-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 136817387
(1S)-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 136817395
(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
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[[3-(methoxymethyl)phenyl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136905132
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
1-(2,4-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43674286
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine (CID 136905493) is (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine is COc1ccc([C@@H](C)NC[C@H]2CNc3cc(C)nn3C2)c(OC)c1.
What is the InChIKey of (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine?
The InChIKey is MNTFVTYJBIDDDA-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-7-18-20-10-14(11-22(18)21-12)9-19-13(2)16-6-5-15(23-3)8-17(16)24-4/h5-8,13-14,19-20H,9-11H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine?
(1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine has a molecular weight of 330.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dimethoxyphenyl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]ethanamine is sourced from PubChem (CID 136905493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).