5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C14H13ClFN7O — CID 25169133

IUPAC5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1
InChIInChI=1S/C14H13ClFN7O/c1-7-3-11(23-22-7)20-13-10(15)6-19-14(21-13)24-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H2,19,20,21,22,23)/t8-/m0/s1
InChIKeyWZPILCWIFRRMQR-QMMMGPOBSA-N
MW349.76 g/mol
LogP2.97
Rot. Bonds5

About 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 25169133) has the molecular formula C14H13ClFN7O and a molecular weight of 349.76 g/mol. Its IUPAC name is 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID25169133
Molecular FormulaC14H13ClFN7O
Molecular Weight349.76 g/mol
Exact Mass349.09
IUPAC Name5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1
InChIInChI=1S/C14H13ClFN7O/c1-7-3-11(23-22-7)20-13-10(15)6-19-14(21-13)24-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H2,19,20,21,22,23)/t8-/m0/s1
InChIKeyWZPILCWIFRRMQR-QMMMGPOBSA-N
XLogP2.97
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.76
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 25169133) is 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cn3)ncc2Cl)n[nH]1.
What is the InChIKey of 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is WZPILCWIFRRMQR-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H13ClFN7O/c1-7-3-11(23-22-7)20-13-10(15)6-19-14(21-13)24-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H2,19,20,21,22,23)/t8-/m0/s1.
What are the key properties of 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 349.76 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethoxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 25169133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).