5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine

C14H15ClFN3 — CID 70012309

IUPAC5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
SMILESC[C@H](F)c1ncnc(N[C@@H](C)c2ccccc2)c1Cl
InChIInChI=1S/C14H15ClFN3/c1-9(16)13-12(15)14(18-8-17-13)19-10(2)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)/t9-,10-/m0/s1
InChIKeyRVJXDRXHEAHPAO-UWVGGRQHSA-N
MW279.75 g/mol
LogP4.33
Rot. Bonds4

About 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine

5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine (PubChem CID 70012309) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
PubChem CID70012309
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine
SMILESC[C@H](F)c1ncnc(N[C@@H](C)c2ccccc2)c1Cl
InChIInChI=1S/C14H15ClFN3/c1-9(16)13-12(15)14(18-8-17-13)19-10(2)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)/t9-,10-/m0/s1
InChIKeyRVJXDRXHEAHPAO-UWVGGRQHSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine (CID 70012309) is 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine is C[C@H](F)c1ncnc(N[C@@H](C)c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine?
The InChIKey is RVJXDRXHEAHPAO-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-9(16)13-12(15)14(18-8-17-13)19-10(2)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18,19)/t9-,10-/m0/s1.
What are the key properties of 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine?
5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1S)-1-fluoroethyl]-N-[(1S)-1-phenylethyl]pyrimidin-4-amine is sourced from PubChem (CID 70012309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).