4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide

C18H26F3N5O2 — CID 71237334

IUPAC4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide
SMILESCC1CCC1Nc1nc(NC2CCC(OCC(F)(F)F)CC2)ncc1C(N)=O
InChIInChI=1S/C18H26F3N5O2/c1-10-2-7-14(10)25-16-13(15(22)27)8-23-17(26-16)24-11-3-5-12(6-4-11)28-9-18(19,20)21/h8,10-12,14H,2-7,9H2,1H3,(H2,22,27)(H2,23,24,25,26)
InChIKeyOIZLQJLVJNOACP-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.09
Rot. Bonds7

About 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide

4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide (PubChem CID 71237334) has the molecular formula C18H26F3N5O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide
PubChem CID71237334
Molecular FormulaC18H26F3N5O2
Molecular Weight401.43 g/mol
Exact Mass401.20
IUPAC Name4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide
SMILESCC1CCC1Nc1nc(NC2CCC(OCC(F)(F)F)CC2)ncc1C(N)=O
InChIInChI=1S/C18H26F3N5O2/c1-10-2-7-14(10)25-16-13(15(22)27)8-23-17(26-16)24-11-3-5-12(6-4-11)28-9-18(19,20)21/h8,10-12,14H,2-7,9H2,1H3,(H2,22,27)(H2,23,24,25,26)
InChIKeyOIZLQJLVJNOACP-UHFFFAOYSA-N
XLogP3.09
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

4-[[(4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexylidene]methyl]pyrimidine-5-carboxamide
CID 71244299
4-[[(1R,3S,4S)-3-hydroxy-4-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237204
4-[(4-ethoxycyclohexyl)amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71236629
2-[(4-ethoxycyclohexyl)amino]-4-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
CID 66576009
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-(3,3-dimethylbutan-2-ylamino)-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237178
2-[(4-ethoxycyclohexyl)amino]-4-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]pyrimidine-5-carboxamide
CID 71237568
4-[[(2R)-3,3-dimethylbutan-2-yl]amino]-2-[(4-ethoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237177
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972606
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
CID 71237811

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide (CID 71237334) is 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide is CC1CCC1Nc1nc(NC2CCC(OCC(F)(F)F)CC2)ncc1C(N)=O.
What is the InChIKey of 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide?
The InChIKey is OIZLQJLVJNOACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N5O2/c1-10-2-7-14(10)25-16-13(15(22)27)8-23-17(26-16)24-11-3-5-12(6-4-11)28-9-18(19,20)21/h8,10-12,14H,2-7,9H2,1H3,(H2,22,27)(H2,23,24,25,26).
What are the key properties of 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide?
4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclobutyl)amino]-2-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).