2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine

C14H23ClN4 — CID 82460544

IUPAC2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
SMILESCCc1cc(NCCCCN2CCCC2)nc(Cl)n1
InChIInChI=1S/C14H23ClN4/c1-2-12-11-13(18-14(15)17-12)16-7-3-4-8-19-9-5-6-10-19/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyGFJBEAWBSUYJIV-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.98
Rot. Bonds7

About 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine

2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine (PubChem CID 82460544) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
PubChem CID82460544
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
SMILESCCc1cc(NCCCCN2CCCC2)nc(Cl)n1
InChIInChI=1S/C14H23ClN4/c1-2-12-11-13(18-14(15)17-12)16-7-3-4-8-19-9-5-6-10-19/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyGFJBEAWBSUYJIV-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82460551
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
2-chloro-N-(2-morpholin-4-ylethyl)-6-propylpyrimidin-4-amine
CID 82460824
5-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56914218
2-chloro-N-octyl-6-propylpyrimidin-4-amine
CID 82460778
2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
CID 126971307
2-ethyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136975586
6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
CID 82457974
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
2-chloro-7-methyl-N-(4-pyrrolidin-1-ylbutyl)purin-6-amine
CID 82460201
2-chloro-6-ethyl-N-prop-2-enylpyrimidin-4-amine
CID 82460542
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine (CID 82460544) is 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine is CCc1cc(NCCCCN2CCCC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The InChIKey is GFJBEAWBSUYJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-2-12-11-13(18-14(15)17-12)16-7-3-4-8-19-9-5-6-10-19/h11H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine has a molecular weight of 282.82 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 82460544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).