5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

C13H18FN7 — CID 137342861

IUPAC5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCCC(c3ncn[nH]3)C2)ncc1F
InChIInChI=1S/C13H18FN7/c1-20(2)12-10(14)6-15-13(18-12)21-5-3-4-9(7-21)11-16-8-17-19-11/h6,8-9H,3-5,7H2,1-2H3,(H,16,17,19)
InChIKeyCSJVQFYVMSHNTO-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.18
Rot. Bonds3

About 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 137342861) has the molecular formula C13H18FN7 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID137342861
Molecular FormulaC13H18FN7
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Name5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCCC(c3ncn[nH]3)C2)ncc1F
InChIInChI=1S/C13H18FN7/c1-20(2)12-10(14)6-15-13(18-12)21-5-3-4-9(7-21)11-16-8-17-19-11/h6,8-9H,3-5,7H2,1-2H3,(H,16,17,19)
InChIKeyCSJVQFYVMSHNTO-UHFFFAOYSA-N
XLogP1.18
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine (CID 137342861) is 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine is CN(C)c1nc(N2CCCC(c3ncn[nH]3)C2)ncc1F.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is CSJVQFYVMSHNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN7/c1-20(2)12-10(14)6-15-13(18-12)21-5-3-4-9(7-21)11-16-8-17-19-11/h6,8-9H,3-5,7H2,1-2H3,(H,16,17,19).
What are the key properties of 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine?
5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 291.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 137342861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).