(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol

C13H22N4O2 — CID 100648038

IUPAC(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESCOC[C@@H](O)CN(C)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C13H22N4O2/c1-16(8-11(18)9-19-2)12-7-13(15-10-14-12)17-5-3-4-6-17/h7,10-11,18H,3-6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyAABXBKMPSPQJDN-NSHDSACASA-N
MW266.34 g/mol
LogP0.52
Rot. Bonds6

About (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol

(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 100648038) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID100648038
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESCOC[C@@H](O)CN(C)c1cc(N2CCCC2)ncn1
InChIInChI=1S/C13H22N4O2/c1-16(8-11(18)9-19-2)12-7-13(15-10-14-12)17-5-3-4-6-17/h7,10-11,18H,3-6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyAABXBKMPSPQJDN-NSHDSACASA-N
XLogP0.52
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064992
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one
CID 115265287
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413104
1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80811340
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 124624146
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 131897235
2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-4-carbothioamide
CID 54998776
2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol
CID 121206050
1-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 54993621
methyl 2-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzoate
CID 122282474

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol (CID 100648038) is (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol is COC[C@@H](O)CN(C)c1cc(N2CCCC2)ncn1.
What is the InChIKey of (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is AABXBKMPSPQJDN-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(8-11(18)9-19-2)12-7-13(15-10-14-12)17-5-3-4-6-17/h7,10-11,18H,3-6,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol?
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 100648038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).