(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one

C22H25N5O — CID 59388403

IUPAC(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one
SMILESCC(C)c1ccc(C2C(=O)N(C)C(N)=N[C@]2(C)c2ccc3nccn3c2)cc1
InChIInChI=1S/C22H25N5O/c1-14(2)15-5-7-16(8-6-15)19-20(28)26(4)21(23)25-22(19,3)17-9-10-18-24-11-12-27(18)13-17/h5-14,19H,1-4H3,(H2,23,25)/t19?,22-/m1/s1
InChIKeyZFTPOLLQAWZFOD-AVKWCDSFSA-N
MW375.48 g/mol
LogP3.24
Rot. Bonds3

About (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one

(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one (PubChem CID 59388403) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one
PubChem CID59388403
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one
SMILESCC(C)c1ccc(C2C(=O)N(C)C(N)=N[C@]2(C)c2ccc3nccn3c2)cc1
InChIInChI=1S/C22H25N5O/c1-14(2)15-5-7-16(8-6-15)19-20(28)26(4)21(23)25-22(19,3)17-9-10-18-24-11-12-27(18)13-17/h5-14,19H,1-4H3,(H2,23,25)/t19?,22-/m1/s1
InChIKeyZFTPOLLQAWZFOD-AVKWCDSFSA-N
XLogP3.24
TPSA75.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one (CID 59388403) is (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one is CC(C)c1ccc(C2C(=O)N(C)C(N)=N[C@]2(C)c2ccc3nccn3c2)cc1.
What is the InChIKey of (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one?
The InChIKey is ZFTPOLLQAWZFOD-AVKWCDSFSA-N. The full InChI is InChI=1S/C22H25N5O/c1-14(2)15-5-7-16(8-6-15)19-20(28)26(4)21(23)25-22(19,3)17-9-10-18-24-11-12-27(18)13-17/h5-14,19H,1-4H3,(H2,23,25)/t19?,22-/m1/s1.
What are the key properties of (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one?
(6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one has a molecular weight of 375.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-imidazo[1,2-a]pyridin-6-yl-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one is sourced from PubChem (CID 59388403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).