1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine

C9H15ClN4O — CID 80751988

IUPAC1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine
SMILESCCC(N)CNc1nc(OC)ncc1Cl
InChIInChI=1S/C9H15ClN4O/c1-3-6(11)4-12-8-7(10)5-13-9(14-8)15-2/h5-6H,3-4,11H2,1-2H3,(H,12,13,14)
InChIKeyFMSAVFUZIVXQEG-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.29
Rot. Bonds5

About 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine

1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine (PubChem CID 80751988) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine
PubChem CID80751988
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine
SMILESCCC(N)CNc1nc(OC)ncc1Cl
InChIInChI=1S/C9H15ClN4O/c1-3-6(11)4-12-8-7(10)5-13-9(14-8)15-2/h5-6H,3-4,11H2,1-2H3,(H,12,13,14)
InChIKeyFMSAVFUZIVXQEG-UHFFFAOYSA-N
XLogP1.29
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-ethylhexyl)-2-methoxypyrimidin-4-amine
CID 107816615
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-2-ol
CID 115733636
5-chloro-N-(2,3-dimethoxypropyl)-2-methoxypyrimidin-4-amine
CID 113368832
N'-(5-chloro-2-methoxypyrimidin-4-yl)-1-cyclopropyl-N,N-dimethylethane-1,2-diamine
CID 133454072
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
5-chloro-2-methoxy-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 106231241
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
N-[(1-aminocyclobutyl)methyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 103353983
5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
CID 104624132
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
N-[2-(4-aminophenoxy)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80757950

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine?
The IUPAC name of 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine (CID 80751988) is 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine?
The canonical SMILES for 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine is CCC(N)CNc1nc(OC)ncc1Cl.
What is the InChIKey of 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine?
The InChIKey is FMSAVFUZIVXQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-3-6(11)4-12-8-7(10)5-13-9(14-8)15-2/h5-6H,3-4,11H2,1-2H3,(H,12,13,14).
What are the key properties of 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine?
1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine has a molecular weight of 230.70 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-methoxypyrimidin-4-yl)butane-1,2-diamine is sourced from PubChem (CID 80751988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).