6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine

C14H24N4 — CID 107421241

IUPAC6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCCC2C)nc(C)n1
InChIInChI=1S/C14H24N4/c1-4-15-13-8-14(18-11(3)17-13)16-9-12-7-5-6-10(12)2/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyYXBWKNWRICSRIL-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.06
Rot. Bonds5

About 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine

6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine (PubChem CID 107421241) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
PubChem CID107421241
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCC2CCCC2C)nc(C)n1
InChIInChI=1S/C14H24N4/c1-4-15-13-8-14(18-11(3)17-13)16-9-12-7-5-6-10(12)2/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,17,18)
InChIKeyYXBWKNWRICSRIL-UHFFFAOYSA-N
XLogP3.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419264
6-ethoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419086
2-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815452
6-N-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 107421207
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
CID 107421190
2-hydrazinyl-6-methyl-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107421322
6-methyl-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 107419098
2-(ethylamino)-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107420540
5-methyl-N-[(2-methylcyclopentyl)methyl]pyridazin-3-amine
CID 107419285
6-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80814880
2-N-[(2-methylcyclopentyl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 107421236
6-N-methyl-4-N-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961821

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine (CID 107421241) is 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine is CCNc1cc(NCC2CCCC2C)nc(C)n1.
What is the InChIKey of 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is YXBWKNWRICSRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-15-13-8-14(18-11(3)17-13)16-9-12-7-5-6-10(12)2/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine?
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 107421241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).