(2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol

C15H27N5O — CID 95124971

IUPAC(2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1nc(N(C)C)nc(NC[C@H](O)CN2CCCC2)c1C
InChIInChI=1S/C15H27N5O/c1-11-12(2)17-15(19(3)4)18-14(11)16-9-13(21)10-20-7-5-6-8-20/h13,21H,5-10H2,1-4H3,(H,16,17,18)/t13-/m0/s1
InChIKeyWCBQQLDMCXAESW-ZDUSSCGKSA-N
MW293.42 g/mol
LogP1.03
Rot. Bonds6

About (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol

(2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 95124971) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID95124971
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name(2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCc1nc(N(C)C)nc(NC[C@H](O)CN2CCCC2)c1C
InChIInChI=1S/C15H27N5O/c1-11-12(2)17-15(19(3)4)18-14(11)16-9-13(21)10-20-7-5-6-8-20/h13,21H,5-10H2,1-4H3,(H,16,17,18)/t13-/m0/s1
InChIKeyWCBQQLDMCXAESW-ZDUSSCGKSA-N
XLogP1.03
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 95124971) is (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol is Cc1nc(N(C)C)nc(NC[C@H](O)CN2CCCC2)c1C.
What is the InChIKey of (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is WCBQQLDMCXAESW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-12(2)17-15(19(3)4)18-14(11)16-9-13(21)10-20-7-5-6-8-20/h13,21H,5-10H2,1-4H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
(2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 293.42 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 95124971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).