2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

C10H9ClFN5 — CID 79080911

IUPAC2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2nc(Cl)ncc2F)cn1
InChIInChI=1S/C10H9ClFN5/c1-6-2-14-7(3-13-6)4-15-9-8(12)5-16-10(11)17-9/h2-3,5H,4H2,1H3,(H,15,16,17)
InChIKeyHPAMQROSEKWFQS-UHFFFAOYSA-N
MW253.67 g/mol
LogP1.98
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 79080911) has the molecular formula C10H9ClFN5 and a molecular weight of 253.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
PubChem CID79080911
Molecular FormulaC10H9ClFN5
Molecular Weight253.67 g/mol
Exact Mass253.05
IUPAC Name2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2nc(Cl)ncc2F)cn1
InChIInChI=1S/C10H9ClFN5/c1-6-2-14-7(3-13-6)4-15-9-8(12)5-16-10(11)17-9/h2-3,5H,4H2,1H3,(H,15,16,17)
InChIKeyHPAMQROSEKWFQS-UHFFFAOYSA-N
XLogP1.98
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.67
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 79073684
5-fluoro-2-N-methyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4-diamine
CID 80825138
2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178030
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
5-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 105369387
6-chloro-2-ethyl-5-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 80971459
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106014067
2-chloro-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 79080884
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193136
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetaldehyde
CID 144524203
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine (CID 79080911) is 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2nc(Cl)ncc2F)cn1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is HPAMQROSEKWFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN5/c1-6-2-14-7(3-13-6)4-15-9-8(12)5-16-10(11)17-9/h2-3,5H,4H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 253.67 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79080911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).