(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one

C22H23N5O — CID 59388737

IUPAC(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn[nH]c3c2)N=C1N
InChIInChI=1S/C22H23N5O/c1-22(17-10-9-16-12-24-26-18(16)11-17)19(20(28)27(2)21(23)25-22)15-7-5-14(6-8-15)13-3-4-13/h5-13,19H,3-4H2,1-2H3,(H2,23,25)(H,24,26)/t19-,22+/m0/s1
InChIKeyVTTLUPAXNVBPOD-SIKLNZKXSA-N
MW373.46 g/mol
LogP3.23
Rot. Bonds3

About (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one

(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59388737) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59388737
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn[nH]c3c2)N=C1N
InChIInChI=1S/C22H23N5O/c1-22(17-10-9-16-12-24-26-18(16)11-17)19(20(28)27(2)21(23)25-22)15-7-5-14(6-8-15)13-3-4-13/h5-13,19H,3-4H2,1-2H3,(H2,23,25)(H,24,26)/t19-,22+/m0/s1
InChIKeyVTTLUPAXNVBPOD-SIKLNZKXSA-N
XLogP3.23
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 59388737) is (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn[nH]c3c2)N=C1N.
What is the InChIKey of (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is VTTLUPAXNVBPOD-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H23N5O/c1-22(17-10-9-16-12-24-26-18(16)11-17)19(20(28)27(2)21(23)25-22)15-7-5-14(6-8-15)13-3-4-13/h5-13,19H,3-4H2,1-2H3,(H2,23,25)(H,24,26)/t19-,22+/m0/s1.
What are the key properties of (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one?
(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 373.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59388737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).