4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide

C18H26N4O2 — CID 131994880

IUPAC4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
SMILESO=C(NC1CCCCC1)c1cc(C(=O)NC2CCCCC2)ncn1
InChIInChI=1S/C18H26N4O2/c23-17(21-13-7-3-1-4-8-13)15-11-16(20-12-19-15)18(24)22-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,21,23)(H,22,24)
InChIKeyMJYPJFZQRJATTG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.60
Rot. Bonds4

About 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide

4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide (PubChem CID 131994880) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
PubChem CID131994880
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
SMILESO=C(NC1CCCCC1)c1cc(C(=O)NC2CCCCC2)ncn1
InChIInChI=1S/C18H26N4O2/c23-17(21-13-7-3-1-4-8-13)15-11-16(20-12-19-15)18(24)22-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,21,23)(H,22,24)
InChIKeyMJYPJFZQRJATTG-UHFFFAOYSA-N
XLogP2.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
N-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 110848002
N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339420
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109342121
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide (CID 131994880) is 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide is O=C(NC1CCCCC1)c1cc(C(=O)NC2CCCCC2)ncn1.
What is the InChIKey of 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide?
The InChIKey is MJYPJFZQRJATTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(21-13-7-3-1-4-8-13)15-11-16(20-12-19-15)18(24)22-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,21,23)(H,22,24).
What are the key properties of 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide?
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 131994880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).