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

C12H21N5 — CID 80833263

IUPAC2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCN2CCCC2)n1
InChIInChI=1S/C12H21N5/c1-2-13-12-15-6-5-11(16-12)14-7-10-17-8-3-4-9-17/h5-6H,2-4,7-10H2,1H3,(H2,13,14,15,16)
InChIKeyHILUCVSOPCCCOR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds6

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

2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80833263) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID80833263
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(NCCN2CCCC2)n1
InChIInChI=1S/C12H21N5/c1-2-13-12-15-6-5-11(16-12)14-7-10-17-8-3-4-9-17/h5-6H,2-4,7-10H2,1H3,(H2,13,14,15,16)
InChIKeyHILUCVSOPCCCOR-UHFFFAOYSA-N
XLogP1.42
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 114174041
2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80807066
2-N-ethyl-4-N-octylpyrimidine-2,4-diamine
CID 113336790
6-N-ethyl-2-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,6-diamine
CID 78990309
4-N-(2-ethoxyethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80792749
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667
4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine (CID 80833263) is 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine is CCNc1nccc(NCCN2CCCC2)n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is HILUCVSOPCCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-13-12-15-6-5-11(16-12)14-7-10-17-8-3-4-9-17/h5-6H,2-4,7-10H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 235.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80833263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).