2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine

C9H15ClN4 — CID 130892533

IUPAC2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine
SMILESCCC(N)C(C)Nc1ncc(Cl)cn1
InChIInChI=1S/C9H15ClN4/c1-3-8(11)6(2)14-9-12-4-7(10)5-13-9/h4-6,8H,3,11H2,1-2H3,(H,12,13,14)
InChIKeyUXZNFDBKAAZZPR-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.67
Rot. Bonds4

About 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine

2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine (PubChem CID 130892533) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine
PubChem CID130892533
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine
SMILESCCC(N)C(C)Nc1ncc(Cl)cn1
InChIInChI=1S/C9H15ClN4/c1-3-8(11)6(2)14-9-12-4-7(10)5-13-9/h4-6,8H,3,11H2,1-2H3,(H,12,13,14)
InChIKeyUXZNFDBKAAZZPR-UHFFFAOYSA-N
XLogP1.67
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
CID 79557732
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937690
5-chloro-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
CID 97320772
5-chloro-N-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine
CID 97320773
5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
CID 79556553
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine
CID 115674175
2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 79557211
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092
1-[2-[[(2R,3S)-3-aminopentan-2-yl]amino]-4-anilinopyrimidin-5-yl]ethanone
CID 59199728
N-(3-ethylpentan-2-yl)-5-methoxypyrimidin-2-amine
CID 114600609

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine?
The IUPAC name of 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine (CID 130892533) is 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine.
What is the SMILES notation for 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine?
The canonical SMILES for 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine is CCC(N)C(C)Nc1ncc(Cl)cn1.
What is the InChIKey of 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine?
The InChIKey is UXZNFDBKAAZZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-3-8(11)6(2)14-9-12-4-7(10)5-13-9/h4-6,8H,3,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine?
2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine is sourced from PubChem (CID 130892533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).