1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine

C20H27N7O2 — CID 146328691

IUPAC1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(CNC2(C)CCOCC2)ccc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C20H27N7O2/c1-20(5-7-29-8-6-20)23-10-13-3-4-14(16(9-13)28-2)12-27-17-15(11-24-27)25-19(22)26-18(17)21/h3-4,9,11,23H,5-8,10,12H2,1-2H3,(H4,21,22,25,26)
InChIKeyBBKABKOPNREPIN-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.71
Rot. Bonds6

About 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 146328691) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID146328691
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(CNC2(C)CCOCC2)ccc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C20H27N7O2/c1-20(5-7-29-8-6-20)23-10-13-3-4-14(16(9-13)28-2)12-27-17-15(11-24-27)25-19(22)26-18(17)21/h3-4,9,11,23H,5-8,10,12H2,1-2H3,(H4,21,22,25,26)
InChIKeyBBKABKOPNREPIN-UHFFFAOYSA-N
XLogP1.71
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine with MolForge

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Related Compounds

hexan-1-ol;1-[[2-methoxy-4-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813267
1-[[4-[(cyclobutylamino)methyl]-2-methoxyphenyl]methyl]-7-N-(2-ethoxyethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 146328648
[4-[(5,7-diaminopyrazolo[4,5-d]pyrimidin-1-yl)methyl]-3-methoxyphenyl]-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 156812783
7-N-butyl-1-[[4-(chloromethyl)-2-methoxyphenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156812871
[4-[(5,7-diaminopyrazolo[4,5-d]pyrimidin-1-yl)methyl]-3-methoxyphenyl]-[6-(2-hydroxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 156812914
7-N-butyl-1-[[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 146328513
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine
CID 113321768
1-[[2-methoxy-4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 166684844
1-[[4-[[5-amino-7-[(2,2-difluorospiro[2.3]hexan-5-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 166685008
2-[2-[[4-[[5-amino-7-(butylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonan-7-yl]ethanol
CID 156812764
[4-[[4-[[5-amino-7-[(2-fluorospiro[2.3]hexan-5-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylcyclopropyl)methanone
CID 166684835
2-[4-[[5-amino-7-(butylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxyphenyl]pentan-2-ol
CID 166695331

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 146328691) is 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine is COc1cc(CNC2(C)CCOCC2)ccc1Cn1ncc2nc(N)nc(N)c21.
What is the InChIKey of 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is BBKABKOPNREPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-20(5-7-29-8-6-20)23-10-13-3-4-14(16(9-13)28-2)12-27-17-15(11-24-27)25-19(22)26-18(17)21/h3-4,9,11,23H,5-8,10,12H2,1-2H3,(H4,21,22,25,26).
What are the key properties of 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 397.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 146328691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).