4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide

C20H32N4O — CID 157295548

IUPAC4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCC1CCC(Nc2ncc(C(N)=O)c(CC3(CC)CCC3)n2)CC1
InChIInChI=1S/C20H32N4O/c1-3-14-6-8-15(9-7-14)23-19-22-13-16(18(21)25)17(24-19)12-20(4-2)10-5-11-20/h13-15H,3-12H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyUMRLXXYTNYNJKO-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.08
Rot. Bonds7

About 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide

4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 157295548) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID157295548
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCCC1CCC(Nc2ncc(C(N)=O)c(CC3(CC)CCC3)n2)CC1
InChIInChI=1S/C20H32N4O/c1-3-14-6-8-15(9-7-14)23-19-22-13-16(18(21)25)17(24-19)12-20(4-2)10-5-11-20/h13-15H,3-12H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyUMRLXXYTNYNJKO-UHFFFAOYSA-N
XLogP4.08
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide
CID 161486885
2-[(4-ethylcyclohexyl)amino]-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 162160086
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 158844038
2-amino-4-[(1-ethylcyclopentyl)methyl]pyrimidine-5-carboxamide
CID 159800325
2-[(4-ethoxycyclohexyl)amino]-4-[(1-ethylcyclobutyl)amino]pyrimidine-5-carboxamide
CID 71237764
2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 149008951
4-[(3-ethylcyclobutyl)amino]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71244293
4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 148807012
4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 161285594
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide (CID 157295548) is 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide is CCC1CCC(Nc2ncc(C(N)=O)c(CC3(CC)CCC3)n2)CC1.
What is the InChIKey of 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is UMRLXXYTNYNJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-14-6-8-15(9-7-14)23-19-22-13-16(18(21)25)17(24-19)12-20(4-2)10-5-11-20/h13-15H,3-12H2,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide?
4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclobutyl)methyl]-2-[(4-ethylcyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 157295548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).