4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide

C16H26N4O — CID 126724613

IUPAC4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2cc(C(C)(C)C)ncn2)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)13-9-14(19-10-18-13)20-12-7-5-11(6-8-12)15(21)17-4/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19,20)
InChIKeyMOTXSVNVDTUXPA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds3

About 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide

4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 126724613) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
PubChem CID126724613
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2cc(C(C)(C)C)ncn2)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)13-9-14(19-10-18-13)20-12-7-5-11(6-8-12)15(21)17-4/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19,20)
InChIKeyMOTXSVNVDTUXPA-UHFFFAOYSA-N
XLogP2.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-N-cyclopropylpyrimidin-4-amine
CID 126849020
[3-[(6-tert-butylpyrimidin-4-yl)amino]azetidin-1-yl]-cyclobutylmethanone
CID 118546922
6-tert-butyl-N-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126724583
2-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]-2-methylpropanoic acid
CID 115264300
N-methyl-4-[(5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 47470181
4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 61240888
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
2-[6-[(4-tert-butylcyclohexyl)amino]pyrimidin-4-yl]acetic acid
CID 22097386
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616
2-[6-[(4-tert-butylcyclohexyl)amino]pyrimidin-4-yl]acetate
CID 22097385
tert-butyl (2R)-2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 86331674

Frequently Asked Questions

What is the IUPAC name of 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide (CID 126724613) is 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(Nc2cc(C(C)(C)C)ncn2)CC1.
What is the InChIKey of 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is MOTXSVNVDTUXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)13-9-14(19-10-18-13)20-12-7-5-11(6-8-12)15(21)17-4/h9-12H,5-8H2,1-4H3,(H,17,21)(H,18,19,20).
What are the key properties of 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide?
4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-tert-butylpyrimidin-4-yl)amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 126724613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).