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

C16H27N5O2 — CID 71237938

IUPAC4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(NC(C)(C)C)n2)CC1
InChIInChI=1S/C16H27N5O2/c1-16(2,3)21-14-12(13(17)22)9-18-15(20-14)19-10-5-7-11(23-4)8-6-10/h9-11H,5-8H2,1-4H3,(H2,17,22)(H2,18,19,20,21)
InChIKeySVNCTVMMLBLZLT-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.16
Rot. Bonds5

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

4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 71237938) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID71237938
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCOC1CCC(Nc2ncc(C(N)=O)c(NC(C)(C)C)n2)CC1
InChIInChI=1S/C16H27N5O2/c1-16(2,3)21-14-12(13(17)22)9-18-15(20-14)19-10-5-7-11(23-4)8-6-10/h9-11H,5-8H2,1-4H3,(H2,17,22)(H2,18,19,20,21)
InChIKeySVNCTVMMLBLZLT-UHFFFAOYSA-N
XLogP2.16
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Cc-90001
CID 71237511
4-[[(1R,3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575844
4-[[(1R,3S)-3-hydroxycycloheptyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237369
2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide
CID 156612911
4-((1R,3S)-3-hydroxycyclohexylamino)-2-(4-(2,2,2-trifluoroethoxy)cyclohexyl-amino)pyrimidine-5-carboxamide
CID 66575842
4-[(3-Hydroxy-3-methylbutyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575924
2-(4,4-difluorocyclohexylamino)-4-((1R,3S)-3-hydroxycyclohexylamino)pyrimidine-5-carboxamide
CID 66575928
4-[[(1R,3S)-3-methoxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576005
4-(Tert-butylamino)-2-((trans-4-hydroxycyclohexyl)amino)pyrimidine-5-carboxamide
CID 70982421
4-(1-Bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
4-[[(1R,3R)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237065
4-[[(1R)-3,3-difluorocyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237091

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 71237938) is 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide is COC1CCC(Nc2ncc(C(N)=O)c(NC(C)(C)C)n2)CC1.
What is the InChIKey of 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is SVNCTVMMLBLZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-16(2,3)21-14-12(13(17)22)9-18-15(20-14)19-10-5-7-11(23-4)8-6-10/h9-11H,5-8H2,1-4H3,(H2,17,22)(H2,18,19,20,21).
What are the key properties of 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71237938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).