4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

C15H26N4 — CID 80783839

IUPAC4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NCC2CCCCC2)c1C
InChIInChI=1S/C15H26N4/c1-4-16-14-11(2)15(19-12(3)18-14)17-10-13-8-6-5-7-9-13/h13H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyZAVZMOFTPFQYDT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.52
Rot. Bonds5

About 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine

4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80783839) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80783839
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(NCC2CCCCC2)c1C
InChIInChI=1S/C15H26N4/c1-4-16-14-11(2)15(19-12(3)18-14)17-10-13-8-6-5-7-9-13/h13H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyZAVZMOFTPFQYDT-UHFFFAOYSA-N
XLogP3.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
CID 63729418
3-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106138103
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
N-(cyclohexylmethyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995285
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80822882
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
5-[[[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80837147
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984091
6-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80813809
4-N-(1-cyclopropylpropan-2-yl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838415

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine (CID 80783839) is 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(NCC2CCCCC2)c1C.
What is the InChIKey of 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is ZAVZMOFTPFQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-16-14-11(2)15(19-12(3)18-14)17-10-13-8-6-5-7-9-13/h13H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexylmethyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80783839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).