(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one

C16H25N5O — CID 95730273

IUPAC(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
SMILESCc1cc(N[C@@H]2CC(=O)N(CC3CCCCC3)C2)nc(N)n1
InChIInChI=1S/C16H25N5O/c1-11-7-14(20-16(17)18-11)19-13-8-15(22)21(10-13)9-12-5-3-2-4-6-12/h7,12-13H,2-6,8-10H2,1H3,(H3,17,18,19,20)/t13-/m1/s1
InChIKeyJEKGEOZRILTXKL-CYBMUJFWSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds4

About (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one

(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one (PubChem CID 95730273) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
PubChem CID95730273
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
SMILESCc1cc(N[C@@H]2CC(=O)N(CC3CCCCC3)C2)nc(N)n1
InChIInChI=1S/C16H25N5O/c1-11-7-14(20-16(17)18-11)19-13-8-15(22)21(10-13)9-12-5-3-2-4-6-12/h7,12-13H,2-6,8-10H2,1H3,(H3,17,18,19,20)/t13-/m1/s1
InChIKeyJEKGEOZRILTXKL-CYBMUJFWSA-N
XLogP1.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one (CID 95730273) is (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one is Cc1cc(N[C@@H]2CC(=O)N(CC3CCCCC3)C2)nc(N)n1.
What is the InChIKey of (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one?
The InChIKey is JEKGEOZRILTXKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-7-14(20-16(17)18-11)19-13-8-15(22)21(10-13)9-12-5-3-2-4-6-12/h7,12-13H,2-6,8-10H2,1H3,(H3,17,18,19,20)/t13-/m1/s1.
What are the key properties of (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one?
(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one has a molecular weight of 303.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 95730273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).