4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine

C15H26N4 — CID 80818986

IUPAC4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCC1CCC(CNc2nc(NC)ncc2C)CC1
InChIInChI=1S/C15H26N4/c1-4-12-5-7-13(8-6-12)10-17-14-11(2)9-18-15(16-3)19-14/h9,12-13H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyWAFUTQCASNRHLH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.46
Rot. Bonds5

About 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80818986) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80818986
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCC1CCC(CNc2nc(NC)ncc2C)CC1
InChIInChI=1S/C15H26N4/c1-4-12-5-7-13(8-6-12)10-17-14-11(2)9-18-15(16-3)19-14/h9,12-13H,4-8,10H2,1-3H3,(H2,16,17,18,19)
InChIKeyWAFUTQCASNRHLH-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,5-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80790393
2-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813128
2-N,5-dimethyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80816729
2-N,5-dimethyl-4-N-(thiolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80852345
4-N-[(4-ethylcyclohexyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80818859
4-N-(1-cyclopropylpropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80839809
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960
3-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855633
2-N,5-dimethyl-4-N-[2-(oxolan-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114131301
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80789523

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80818986) is 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine is CCC1CCC(CNc2nc(NC)ncc2C)CC1.
What is the InChIKey of 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is WAFUTQCASNRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-12-5-7-13(8-6-12)10-17-14-11(2)9-18-15(16-3)19-14/h9,12-13H,4-8,10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80818986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).