2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol

C12H20N4O — CID 165129774

IUPAC2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCc1nc(N)cc(N2CC[C@@H](C(C)(C)O)C2)n1
InChIInChI=1S/C12H20N4O/c1-8-14-10(13)6-11(15-8)16-5-4-9(7-16)12(2,3)17/h6,9,17H,4-5,7H2,1-3H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyXERURUDYCPMSGI-SECBINFHSA-N
MW236.32 g/mol
LogP0.96
Rot. Bonds2

About 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol

2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol (PubChem CID 165129774) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
PubChem CID165129774
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCc1nc(N)cc(N2CC[C@@H](C(C)(C)O)C2)n1
InChIInChI=1S/C12H20N4O/c1-8-14-10(13)6-11(15-8)16-5-4-9(7-16)12(2,3)17/h6,9,17H,4-5,7H2,1-3H3,(H2,13,14,15)/t9-/m1/s1
InChIKeyXERURUDYCPMSGI-SECBINFHSA-N
XLogP0.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol (CID 165129774) is 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol is Cc1nc(N)cc(N2CC[C@@H](C(C)(C)O)C2)n1.
What is the InChIKey of 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol?
The InChIKey is XERURUDYCPMSGI-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-14-10(13)6-11(15-8)16-5-4-9(7-16)12(2,3)17/h6,9,17H,4-5,7H2,1-3H3,(H2,13,14,15)/t9-/m1/s1.
What are the key properties of 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol?
2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol has a molecular weight of 236.32 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 165129774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).