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

C15H25N5O2 — CID 70982421

IUPAC4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O
InChIInChI=1S/C15H25N5O2/c1-15(2,3)20-13-11(12(16)22)8-17-14(19-13)18-9-4-6-10(21)7-5-9/h8-10,21H,4-7H2,1-3H3,(H2,16,22)(H2,17,18,19,20)
InChIKeyBLWZIEOGNLHMEX-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.50
Rot. Bonds4

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

4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (PubChem CID 70982421) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
PubChem CID70982421
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O
InChIInChI=1S/C15H25N5O2/c1-15(2,3)20-13-11(12(16)22)8-17-14(19-13)18-9-4-6-10(21)7-5-9/h8-10,21H,4-7H2,1-3H3,(H2,16,22)(H2,17,18,19,20)
InChIKeyBLWZIEOGNLHMEX-UHFFFAOYSA-N
XLogP1.50
TPSA113.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.50
H-Bond Donors ≤ 54
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-(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
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237171

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide (CID 70982421) is 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is CC(C)(C)Nc1nc(NC2CCC(O)CC2)ncc1C(N)=O.
What is the InChIKey of 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
The InChIKey is BLWZIEOGNLHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2,3)20-13-11(12(16)22)8-17-14(19-13)18-9-4-6-10(21)7-5-9/h8-10,21H,4-7H2,1-3H3,(H2,16,22)(H2,17,18,19,20).
What are the key properties of 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide?
4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 70982421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).