(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine

C19H23N5 — CID 95613951

IUPAC(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
SMILESCc1cnn([C@@H](C)[C@@H](C)NCc2cnc(-c3ccccc3)nc2)c1
InChIInChI=1S/C19H23N5/c1-14-9-23-24(13-14)16(3)15(2)20-10-17-11-21-19(22-12-17)18-7-5-4-6-8-18/h4-9,11-13,15-16,20H,10H2,1-3H3/t15-,16+/m1/s1
InChIKeyFKLKEVIANWYPQV-CVEARBPZSA-N
MW321.43 g/mol
LogP3.39
Rot. Bonds6

About (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine

(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine (PubChem CID 95613951) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
PubChem CID95613951
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
SMILESCc1cnn([C@@H](C)[C@@H](C)NCc2cnc(-c3ccccc3)nc2)c1
InChIInChI=1S/C19H23N5/c1-14-9-23-24(13-14)16(3)15(2)20-10-17-11-21-19(22-12-17)18-7-5-4-6-8-18/h4-9,11-13,15-16,20H,10H2,1-3H3/t15-,16+/m1/s1
InChIKeyFKLKEVIANWYPQV-CVEARBPZSA-N
XLogP3.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine with MolForge

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Related Compounds

(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613953
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 95286276
2-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzonitrile
CID 95613985
4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
(2R,3R)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95759659
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 95304965
N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95288528
(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95293122
6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
CID 95298588
N-[2-[[(2R,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]ethyl]benzenesulfonamide
CID 95319041

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine?
The IUPAC name of (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine (CID 95613951) is (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine.
What is the SMILES notation for (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine?
The canonical SMILES for (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine is Cc1cnn([C@@H](C)[C@@H](C)NCc2cnc(-c3ccccc3)nc2)c1.
What is the InChIKey of (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine?
The InChIKey is FKLKEVIANWYPQV-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-9-23-24(13-14)16(3)15(2)20-10-17-11-21-19(22-12-17)18-7-5-4-6-8-18/h4-9,11-13,15-16,20H,10H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine?
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine has a molecular weight of 321.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 95613951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).