(4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one

C18H23N5O — CID 97204462

IUPAC(4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCC(C)c1cc(NC[C@H]2CC(=O)N(c3ccccc3)C2)nc(N)n1
InChIInChI=1S/C18H23N5O/c1-12(2)15-9-16(22-18(19)21-15)20-10-13-8-17(24)23(11-13)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3,(H3,19,20,21,22)/t13-/m1/s1
InChIKeyDANBUROVFZCEFE-CYBMUJFWSA-N
MW325.42 g/mol
LogP2.65
Rot. Bonds5

About (4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one

(4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one (PubChem CID 97204462) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one
PubChem CID97204462
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one
SMILESCC(C)c1cc(NC[C@H]2CC(=O)N(c3ccccc3)C2)nc(N)n1
InChIInChI=1S/C18H23N5O/c1-12(2)15-9-16(22-18(19)21-15)20-10-13-8-17(24)23(11-13)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3,(H3,19,20,21,22)/t13-/m1/s1
InChIKeyDANBUROVFZCEFE-CYBMUJFWSA-N
XLogP2.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.65
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-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one (CID 97204462) is (4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one is CC(C)c1cc(NC[C@H]2CC(=O)N(c3ccccc3)C2)nc(N)n1.
What is the InChIKey of (4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is DANBUROVFZCEFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(2)15-9-16(22-18(19)21-15)20-10-13-8-17(24)23(11-13)14-6-4-3-5-7-14/h3-7,9,12-13H,8,10-11H2,1-2H3,(H3,19,20,21,22)/t13-/m1/s1.
What are the key properties of (4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one?
(4R)-4-[[(2-amino-6-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 325.42 g/mol, XLogP of 2.65, 5 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-propan-2-ylpyrimidin-4-yl)amino]methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 97204462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).