1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C14H21N5O — CID 56890808

IUPAC1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NC[C@@H]2CCCO2)c2cnn(C)c2n1
InChIInChI=1S/C14H21N5O/c1-3-5-12-17-13(15-8-10-6-4-7-20-10)11-9-16-19(2)14(11)18-12/h9-10H,3-8H2,1-2H3,(H,15,17,18)/t10-/m0/s1
InChIKeyXFXYNQIXBQQKIW-JTQLQIEISA-N
MW275.36 g/mol
LogP1.91
Rot. Bonds5

About 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 56890808) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID56890808
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NC[C@@H]2CCCO2)c2cnn(C)c2n1
InChIInChI=1S/C14H21N5O/c1-3-5-12-17-13(15-8-10-6-4-7-20-10)11-9-16-19(2)14(11)18-12/h9-10H,3-8H2,1-2H3,(H,15,17,18)/t10-/m0/s1
InChIKeyXFXYNQIXBQQKIW-JTQLQIEISA-N
XLogP1.91
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

(5S)-1-methyl-5-[[(1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 95717074
N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56918778
1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95882613
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70754083
[4-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95715130
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
N-ethyl-1-methyl-6-(propoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221381
1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220654
6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220753
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
CID 63221261
6-chloro-N-(oxan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80938789

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 56890808) is 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NC[C@@H]2CCCO2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XFXYNQIXBQQKIW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-5-12-17-13(15-8-10-6-4-7-20-10)11-9-16-19(2)14(11)18-12/h9-10H,3-8H2,1-2H3,(H,15,17,18)/t10-/m0/s1.
What are the key properties of 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56890808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).