4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C19H26N6O2 — CID 128972682

IUPAC4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CCC(N(C)Cc3nccc(N)n3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H26N6O2/c1-12(2)15-8-13(9-18(26)22-15)19(27)25-7-5-14(10-25)24(3)11-17-21-6-4-16(20)23-17/h4,6,8-9,12,14H,5,7,10-11H2,1-3H3,(H,22,26)(H2,20,21,23)
InChIKeyIZFHLFPFPRBBGQ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.22
Rot. Bonds5

About 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 128972682) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID128972682
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1cc(C(=O)N2CCC(N(C)Cc3nccc(N)n3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H26N6O2/c1-12(2)15-8-13(9-18(26)22-15)19(27)25-7-5-14(10-25)24(3)11-17-21-6-4-16(20)23-17/h4,6,8-9,12,14H,5,7,10-11H2,1-3H3,(H,22,26)(H2,20,21,23)
InChIKeyIZFHLFPFPRBBGQ-UHFFFAOYSA-N
XLogP1.22
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 128972682) is 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1cc(C(=O)N2CCC(N(C)Cc3nccc(N)n3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is IZFHLFPFPRBBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12(2)15-8-13(9-18(26)22-15)19(27)25-7-5-14(10-25)24(3)11-17-21-6-4-16(20)23-17/h4,6,8-9,12,14H,5,7,10-11H2,1-3H3,(H,22,26)(H2,20,21,23).
What are the key properties of 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 370.46 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 128972682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).