N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine

C9H15ClN4 — CID 105369876

IUPACN'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNc1ncncc1Cl
InChIInChI=1S/C9H15ClN4/c1-2-11-4-3-5-13-9-8(10)6-12-7-14-9/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyNNMTVWVYMFZIDC-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.54
Rot. Bonds6

About N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine

N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine (PubChem CID 105369876) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
PubChem CID105369876
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC NameN'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNc1ncncc1Cl
InChIInChI=1S/C9H15ClN4/c1-2-11-4-3-5-13-9-8(10)6-12-7-14-9/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyNNMTVWVYMFZIDC-UHFFFAOYSA-N
XLogP1.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105369232
5-chloro-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
CID 105369599
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
CID 130890848
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 105369215
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286982
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine (CID 105369876) is N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine is CCNCCCNc1ncncc1Cl.
What is the InChIKey of N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine?
The InChIKey is NNMTVWVYMFZIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-2-11-4-3-5-13-9-8(10)6-12-7-14-9/h6-7,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine?
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 105369876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).