1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine

C11H19ClN4 — CID 106286982

IUPAC1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ncncc1Cl
InChIInChI=1S/C11H19ClN4/c1-3-8(4-2)10(13)6-15-11-9(12)5-14-7-16-11/h5,7-8,10H,3-4,6,13H2,1-2H3,(H,14,15,16)
InChIKeyCSJVYHDTKLKIHZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.31
Rot. Bonds6

About 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine

1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine (PubChem CID 106286982) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
PubChem CID106286982
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC Name1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine
SMILESCCC(CC)C(N)CNc1ncncc1Cl
InChIInChI=1S/C11H19ClN4/c1-3-8(4-2)10(13)6-15-11-9(12)5-14-7-16-11/h5,7-8,10H,3-4,6,13H2,1-2H3,(H,14,15,16)
InChIKeyCSJVYHDTKLKIHZ-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
CID 107156317
3-[(5-chloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106170483
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
3-ethyl-1-N-quinazolin-4-ylpentane-1,2-diamine
CID 106286875
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369448
3-ethyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
CID 106287064
ethyl (2S,3R)-3-[(5-chloropyrimidin-4-yl)amino]-2-methylbutanoate
CID 100662469
1-[(5-chloropyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 75511398

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine?
The IUPAC name of 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine (CID 106286982) is 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine is CCC(CC)C(N)CNc1ncncc1Cl.
What is the InChIKey of 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine?
The InChIKey is CSJVYHDTKLKIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-3-8(4-2)10(13)6-15-11-9(12)5-14-7-16-11/h5,7-8,10H,3-4,6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine?
1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloropyrimidin-4-yl)-3-ethylpentane-1,2-diamine is sourced from PubChem (CID 106286982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).