N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide

C19H23N3O2 — CID 164633543

IUPACN-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
SMILESO=C(N[C@@H](CCO)C1CCCC1)c1cncnc1-c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-11-10-17(14-6-4-5-7-14)22-19(24)16-12-20-13-21-18(16)15-8-2-1-3-9-15/h1-3,8-9,12-14,17,23H,4-7,10-11H2,(H,22,24)/t17-/m0/s1
InChIKeyCZDORYTWGAEHLD-KRWDZBQOSA-N
MW325.41 g/mol
LogP2.81
Rot. Bonds6

About N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide

N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide (PubChem CID 164633543) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
PubChem CID164633543
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide
SMILESO=C(N[C@@H](CCO)C1CCCC1)c1cncnc1-c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-11-10-17(14-6-4-5-7-14)22-19(24)16-12-20-13-21-18(16)15-8-2-1-3-9-15/h1-3,8-9,12-14,17,23H,4-7,10-11H2,(H,22,24)/t17-/m0/s1
InChIKeyCZDORYTWGAEHLD-KRWDZBQOSA-N
XLogP2.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Benzylamino-2-{[4-(3-hydroxypropyl)phenyl]amino}pyrimidine-5-carboxamide
CID 44561385
N-methyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470753
2-Amino-4-phenylpyrimidine-5-carboxylic acid
CID 254927
N-allyl-2,4-diphenyl-5-pyrimidinecarboxamide
CID 3583594
2,4-diphenyl-N-propylpyrimidine-5-carboxamide
CID 3583595
N-(5-hydroxy-2-adamantyl)-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 57916457
1-Acetyl-4-[(2-amino-4-phenyl-5-pyrimidinyl)carbonyl]-1,4-diazepan-6-ol
CID 70744429
US9868729, Example 203
CID 44594514
US9868729, Example 204
CID 58014767
US11414410, Example 203
CID 154608960
4-Phenylpyrimidine-5-carboxylic acid
CID 22162399
N-[3-(Diethylamino)propyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
CID 16021828

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide (CID 164633543) is N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide is O=C(N[C@@H](CCO)C1CCCC1)c1cncnc1-c1ccccc1.
What is the InChIKey of N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
The InChIKey is CZDORYTWGAEHLD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-11-10-17(14-6-4-5-7-14)22-19(24)16-12-20-13-21-18(16)15-8-2-1-3-9-15/h1-3,8-9,12-14,17,23H,4-7,10-11H2,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide?
N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentyl-3-hydroxypropyl]-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 164633543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).