(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

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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).