2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine

C9H13ClFN3 — CID 79081064

IUPAC2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)Nc1nc(Cl)ncc1F
InChIInChI=1S/C9H13ClFN3/c1-3-6(4-2)13-8-7(11)5-12-9(10)14-8/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyIQHXWJDPPLJZMS-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.87
Rot. Bonds4

About 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine

2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 79081064) has the molecular formula C9H13ClFN3 and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine
PubChem CID79081064
Molecular FormulaC9H13ClFN3
Molecular Weight217.67 g/mol
Exact Mass217.08
IUPAC Name2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine
SMILESCCC(CC)Nc1nc(Cl)ncc1F
InChIInChI=1S/C9H13ClFN3/c1-3-6(4-2)13-8-7(11)5-12-9(10)14-8/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyIQHXWJDPPLJZMS-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
2-Chloro-5-fluoropyrimidin-4-amine
CID 254372
2-Chloro-N-methylpyrimidin-4-amine
CID 13758004
N-allyl-N-(2-chloro-5-fluoro-4-pyrimidinyl)amine
CID 1714312
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
4-N-[3-(methylamino)propyl]pyrimidine-2,4-diamine
CID 49856815
4-N-(3-aminopentyl)pyrimidine-2,4-diamine
CID 49856818
5-Fluoropyrimidine-2,4-diamine
CID 255608
5-Fluoropyrimidin-4-amine
CID 3478696
2-Chloro-N-ethylpyrimidin-4-amine
CID 23027192
5-Fluoro-2-methylpyrimidin-4-amine
CID 23381199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine (CID 79081064) is 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine is CCC(CC)Nc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is IQHXWJDPPLJZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFN3/c1-3-6(4-2)13-8-7(11)5-12-9(10)14-8/h5-6H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 217.67 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 79081064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).