2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

C15H27N5 — CID 80934686

IUPAC2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCN2CCCC2)nc(CC)n1
InChIInChI=1S/C15H27N5/c1-3-7-16-14-12-15(19-13(4-2)18-14)17-8-11-20-9-5-6-10-20/h12H,3-11H2,1-2H3,(H2,16,17,18,19)
InChIKeyIVAUGJXAFUKJHJ-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.37
Rot. Bonds8

About 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80934686) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID80934686
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCCCNc1cc(NCCN2CCCC2)nc(CC)n1
InChIInChI=1S/C15H27N5/c1-3-7-16-14-12-15(19-13(4-2)18-14)17-8-11-20-9-5-6-10-20/h12H,3-11H2,1-2H3,(H2,16,17,18,19)
InChIKeyIVAUGJXAFUKJHJ-UHFFFAOYSA-N
XLogP2.37
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-propyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80939981
6-bromo-2-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 114156436
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide
CID 143077534
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
1-[[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80941777
2-ethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935134
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 105420855

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine (CID 80934686) is 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine is CCCNc1cc(NCCN2CCCC2)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is IVAUGJXAFUKJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-3-7-16-14-12-15(19-13(4-2)18-14)17-8-11-20-9-5-6-10-20/h12H,3-11H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80934686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).