N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine

C18H22N6O — CID 56907181

IUPACN,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(N(C)CC3(C)COC3)c12
InChIInChI=1S/C18H22N6O/c1-12-14-16(23(3)9-18(2)10-25-11-18)20-15(13-5-7-19-8-6-13)21-17(14)24(4)22-12/h5-8H,9-11H2,1-4H3
InChIKeySWKSLUGQPCRAMS-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.21
Rot. Bonds4

About N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine

N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56907181) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56907181
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2nc(-c3ccncc3)nc(N(C)CC3(C)COC3)c12
InChIInChI=1S/C18H22N6O/c1-12-14-16(23(3)9-18(2)10-25-11-18)20-15(13-5-7-19-8-6-13)21-17(14)24(4)22-12/h5-8H,9-11H2,1-4H3
InChIKeySWKSLUGQPCRAMS-UHFFFAOYSA-N
XLogP2.21
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 95873812
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-N,1,3,6-tetramethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 70757369
1,3-dimethyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95891437
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56889734
N-[3-(azepan-1-yl)propyl]-N,1-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56909510
[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95870007
(2R)-1-(1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-methyl-1,4-diazepan-5-one
CID 95866502
N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133398295
1,3-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70726083
1,3-dimethyl-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95861358
N,1,3,6-tetramethyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 70734616
N,1-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 56911177

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56907181) is N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1nn(C)c2nc(-c3ccncc3)nc(N(C)CC3(C)COC3)c12.
What is the InChIKey of N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is SWKSLUGQPCRAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-14-16(23(3)9-18(2)10-25-11-18)20-15(13-5-7-19-8-6-13)21-17(14)24(4)22-12/h5-8H,9-11H2,1-4H3.
What are the key properties of N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-[(3-methyloxetan-3-yl)methyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56907181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).