(3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one

C13H20N6O — CID 142745037

IUPAC(3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one
SMILESCN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1=O
InChIInChI=1S/C13H20N6O/c1-15-9-4-5-19(12(9)20)11-6-10(17-13(14)18-11)16-7-8-2-3-8/h6,8-9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/t9-/m1/s1
InChIKeySHKLWBQVAPCURC-SECBINFHSA-N
MW276.34 g/mol
LogP0.21
Rot. Bonds5

About (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one

(3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 142745037) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one
PubChem CID142745037
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name(3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one
SMILESCN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1=O
InChIInChI=1S/C13H20N6O/c1-15-9-4-5-19(12(9)20)11-6-10(17-13(14)18-11)16-7-8-2-3-8/h6,8-9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/t9-/m1/s1
InChIKeySHKLWBQVAPCURC-SECBINFHSA-N
XLogP0.21
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one (CID 142745037) is (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one is CN[C@@H]1CCN(c2cc(NCC3CC3)nc(N)n2)C1=O.
What is the InChIKey of (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is SHKLWBQVAPCURC-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N6O/c1-15-9-4-5-19(12(9)20)11-6-10(17-13(14)18-11)16-7-8-2-3-8/h6,8-9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one?
(3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 142745037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).