2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine

C16H28N4 — CID 80967623

IUPAC2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
SMILESCN(c1cc(N)nc(C(C)(C)C)n1)C1CCCCCC1
InChIInChI=1S/C16H28N4/c1-16(2,3)15-18-13(17)11-14(19-15)20(4)12-9-7-5-6-8-10-12/h11-12H,5-10H2,1-4H3,(H2,17,18,19)
InChIKeyVBNYICZMZAYWLI-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.52
Rot. Bonds2

About 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine

2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80967623) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
PubChem CID80967623
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine
SMILESCN(c1cc(N)nc(C(C)(C)C)n1)C1CCCCCC1
InChIInChI=1S/C16H28N4/c1-16(2,3)15-18-13(17)11-14(19-15)20(4)12-9-7-5-6-8-10-12/h11-12H,5-10H2,1-4H3,(H2,17,18,19)
InChIKeyVBNYICZMZAYWLI-UHFFFAOYSA-N
XLogP3.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640178
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881
2-tert-butyl-4-N-(cyclopropylmethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967726
4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 115915296
2-tert-butyl-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967560
2-tert-butyl-4-N-cyclopropyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80961969
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80963761
4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80899128
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80799744
4-N-cyclohexyl-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80761777
2-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-4-amine
CID 80962786

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine (CID 80967623) is 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine is CN(c1cc(N)nc(C(C)(C)C)n1)C1CCCCCC1.
What is the InChIKey of 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is VBNYICZMZAYWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,3)15-18-13(17)11-14(19-15)20(4)12-9-7-5-6-8-10-12/h11-12H,5-10H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-cycloheptyl-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).