4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

C15H26N4 — CID 80933194

IUPAC4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCCC2)nc(CC)n1
InChIInChI=1S/C15H26N4/c1-3-9-16-14-10-15(19-13(4-2)18-14)17-11-12-7-5-6-8-12/h10,12H,3-9,11H2,1-2H3,(H2,16,17,18,19)
InChIKeyMZTDLJUWZMLDEF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.46
Rot. Bonds7

About 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80933194) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80933194
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC2CCCC2)nc(CC)n1
InChIInChI=1S/C15H26N4/c1-3-9-16-14-10-15(19-13(4-2)18-14)17-11-12-7-5-6-8-12/h10,12H,3-9,11H2,1-2H3,(H2,16,17,18,19)
InChIKeyMZTDLJUWZMLDEF-UHFFFAOYSA-N
XLogP3.46
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
4-N-(cyclohexylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784186
4-N-(2-cyclohexylethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933213
N-(cyclopentylmethyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947878
2-ethyl-4-N-[(4-ethylcyclohexyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80934958
4-N-(cyclopentylmethyl)-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80994212
4-N-(2,2-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80938291
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
6-N,2-diethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935176

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine (CID 80933194) is 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC2CCCC2)nc(CC)n1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is MZTDLJUWZMLDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-9-16-14-10-15(19-13(4-2)18-14)17-11-12-7-5-6-8-12/h10,12H,3-9,11H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).