1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine

C19H31N5O — CID 157012782

IUPAC1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCCCCn1nc(CC(C)C)c2c(N3CCC(COC)C3)ncnc21
InChIInChI=1S/C19H31N5O/c1-5-6-8-24-19-17(16(22-24)10-14(2)3)18(20-13-21-19)23-9-7-15(11-23)12-25-4/h13-15H,5-12H2,1-4H3
InChIKeyKURILDSEFQVPJL-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.30
Rot. Bonds8

About 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine

1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 157012782) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
PubChem CID157012782
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
SMILESCCCCn1nc(CC(C)C)c2c(N3CCC(COC)C3)ncnc21
InChIInChI=1S/C19H31N5O/c1-5-6-8-24-19-17(16(22-24)10-14(2)3)18(20-13-21-19)23-9-7-15(11-23)12-25-4/h13-15H,5-12H2,1-4H3
InChIKeyKURILDSEFQVPJL-UHFFFAOYSA-N
XLogP3.30
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 164696494
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-ol
CID 162630698
1-[1-butyl-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpiperidin-3-amine
CID 162625527
1-butyl-4-(4,4-difluoropiperidin-1-yl)-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 162630465
6-[3-(methoxymethyl)pyrrolidin-1-yl]-5-propylpyrimidin-4-amine
CID 80844504
1-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157013344
1-[2-[[1-butyl-3-(2-methylpropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]-3-methylimidazolidin-2-one
CID 157013829
3-bromo-1-methyl-4-[4-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133380766
N-ethyl-6-[3-(methoxymethyl)piperidin-1-yl]-5-propylpyrimidin-4-amine
CID 106590219
5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167867661
4-chloro-5-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 63980185
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 80844727

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine (CID 157012782) is 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is CCCCn1nc(CC(C)C)c2c(N3CCC(COC)C3)ncnc21.
What is the InChIKey of 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is KURILDSEFQVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-5-6-8-24-19-17(16(22-24)10-14(2)3)18(20-13-21-19)23-9-7-15(11-23)12-25-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine?
1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 345.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 157012782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).