4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine

C14H24N4 — CID 80809163

IUPAC4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCC1CCC(N(C)c2cc(C)nc(N)n2)CC1
InChIInChI=1S/C14H24N4/c1-4-11-5-7-12(8-6-11)18(3)13-9-10(2)16-14(15)17-13/h9,11-12H,4-8H2,1-3H3,(H2,15,16,17)
InChIKeyVYCLSCPMAQSABT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds3

About 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80809163) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80809163
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCCC1CCC(N(C)c2cc(C)nc(N)n2)CC1
InChIInChI=1S/C14H24N4/c1-4-11-5-7-12(8-6-11)18(3)13-9-10(2)16-14(15)17-13/h9,11-12H,4-8H2,1-3H3,(H2,15,16,17)
InChIKeyVYCLSCPMAQSABT-UHFFFAOYSA-N
XLogP2.77
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine (CID 80809163) is 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine is CCC1CCC(N(C)c2cc(C)nc(N)n2)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is VYCLSCPMAQSABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-11-5-7-12(8-6-11)18(3)13-9-10(2)16-14(15)17-13/h9,11-12H,4-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80809163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).