2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine

C10H13ClFN3 — CID 130834678

IUPAC2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine
SMILESCCCC1(Nc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C10H13ClFN3/c1-2-3-10(4-5-10)15-8-7(12)6-13-9(11)14-8/h6H,2-5H2,1H3,(H,13,14,15)
InChIKeyYCVZXMGFXSMOLD-UHFFFAOYSA-N
MW229.69 g/mol
LogP3.01
Rot. Bonds4

About 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine (PubChem CID 130834678) has the molecular formula C10H13ClFN3 and a molecular weight of 229.69 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine
PubChem CID130834678
Molecular FormulaC10H13ClFN3
Molecular Weight229.69 g/mol
Exact Mass229.08
IUPAC Name2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine
SMILESCCCC1(Nc2nc(Cl)ncc2F)CC1
InChIInChI=1S/C10H13ClFN3/c1-2-3-10(4-5-10)15-8-7(12)6-13-9(11)14-8/h6H,2-5H2,1H3,(H,13,14,15)
InChIKeyYCVZXMGFXSMOLD-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-[2-(4-methylcyclohexyl)ethyl]pyrimidin-4-amine
CID 79076200
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-methylcyclopropane-1-carboxamide
CID 130593845
2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine
CID 130702728
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
2-chloro-5-fluoro-N-(3-methylpentan-2-yl)pyrimidin-4-amine
CID 79081841
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 79080911
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884
ethyl 2-[(1R,3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1-hydroxycyclohexyl]propanoate
CID 88548670
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine (CID 130834678) is 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine is CCCC1(Nc2nc(Cl)ncc2F)CC1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine?
The InChIKey is YCVZXMGFXSMOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3/c1-2-3-10(4-5-10)15-8-7(12)6-13-9(11)14-8/h6H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1-propylcyclopropyl)pyrimidin-4-amine has a molecular weight of 229.69 g/mol, XLogP of 3.01, 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-(1-propylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 130834678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).