1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C16H24N6O — CID 31271704

IUPAC1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(C[C@@H]4CCCCO4)CC3)ncnc21
InChIInChI=1S/C16H24N6O/c1-20-15-14(10-19-20)16(18-12-17-15)22-7-5-21(6-8-22)11-13-4-2-3-9-23-13/h10,12-13H,2-9,11H2,1H3/t13-/m0/s1
InChIKeyBGHWXUHZKISXKK-ZDUSSCGKSA-N
MW316.41 g/mol
LogP1.05
Rot. Bonds3

About 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 31271704) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID31271704
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(C[C@@H]4CCCCO4)CC3)ncnc21
InChIInChI=1S/C16H24N6O/c1-20-15-14(10-19-20)16(18-12-17-15)22-7-5-21(6-8-22)11-13-4-2-3-9-23-13/h10,12-13H,2-9,11H2,1H3/t13-/m0/s1
InChIKeyBGHWXUHZKISXKK-ZDUSSCGKSA-N
XLogP1.05
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

4-(aziridin-1-yl)-1-[(2S)-oxan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 3246173
1-methyl-4-(4-propylazepan-1-yl)pyrazolo[5,4-d]pyrimidine
CID 48933564
4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-ol
CID 110931563
3-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870068
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 51334034
1-methyl-4-[4-[(2,3,4,5,6-pentafluorophenyl)methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 18150395
5-fluoro-4-[4-(oxan-2-ylmethyl)piperazin-1-yl]-6-phenylpyrimidine
CID 165435249
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66435958
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
4-(4-benzyl-1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 26021234

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 31271704) is 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCN(C[C@@H]4CCCCO4)CC3)ncnc21.
What is the InChIKey of 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is BGHWXUHZKISXKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6O/c1-20-15-14(10-19-20)16(18-12-17-15)22-7-5-21(6-8-22)11-13-4-2-3-9-23-13/h10,12-13H,2-9,11H2,1H3/t13-/m0/s1.
What are the key properties of 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 316.41 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 31271704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).