4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide

C19H30N4O2 — CID 161285594

IUPAC4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(CC(C)C3CCC3)n2)CC1
InChIInChI=1S/C19H30N4O2/c1-12(13-4-3-5-13)10-17-16(18(20)24)11-21-19(23-17)22-14-6-8-15(25-2)9-7-14/h11-15H,3-10H2,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyVFRDNRIVONAYLY-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.92
Rot. Bonds7

About 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide

4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 161285594) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID161285594
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(CC(C)C3CCC3)n2)CC1
InChIInChI=1S/C19H30N4O2/c1-12(13-4-3-5-13)10-17-16(18(20)24)11-21-19(23-17)22-14-6-8-15(25-2)9-7-14/h11-15H,3-10H2,1-2H3,(H2,20,24)(H,21,22,23)
InChIKeyVFRDNRIVONAYLY-UHFFFAOYSA-N
XLogP2.92
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-2-cyclobutylpropyl]-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 148807012
4-[[(1R)-1-cyclobutylethyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237417
2-[(4-methoxycyclohexyl)amino]-4-[[(2S)-3-methylbutan-2-yl]amino]pyrimidine-5-carboxamide
CID 71237470
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054
2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide
CID 70982679
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
4-[[(1R)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237118
4-[[(1R,3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide;4-[[(1R,3R)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 162254042
2-(cyclopropylamino)-4-[[(1S,3S)-3-hydroxycyclohexyl]methyl]pyrimidine-5-carboxamide
CID 149008951
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
2-[(4-ethylcyclohexyl)amino]-4-(2,2,3-trimethylbutyl)pyrimidine-5-carboxamide
CID 161486885
4-[[4-(aminomethyl)cyclohexyl]methyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 158844038

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 161285594) is 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide is COC1CCC(Nc2ncc(C(N)=O)c(CC(C)C3CCC3)n2)CC1.
What is the InChIKey of 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is VFRDNRIVONAYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-12(13-4-3-5-13)10-17-16(18(20)24)11-21-19(23-17)22-14-6-8-15(25-2)9-7-14/h11-15H,3-10H2,1-2H3,(H2,20,24)(H,21,22,23).
What are the key properties of 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylpropyl)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 161285594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).