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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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).