5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine

C10H9FN4 — CID 104737174

IUPAC5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESNc1ncc(F)c(Cc2cccnc2)n1
InChIInChI=1S/C10H9FN4/c11-8-6-14-10(12)15-9(8)4-7-2-1-3-13-5-7/h1-3,5-6H,4H2,(H2,12,14,15)
InChIKeyXHPZIEDCVSBGKQ-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.18
Rot. Bonds2

About 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine

5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 104737174) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID104737174
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESNc1ncc(F)c(Cc2cccnc2)n1
InChIInChI=1S/C10H9FN4/c11-8-6-14-10(12)15-9(8)4-7-2-1-3-13-5-7/h1-3,5-6H,4H2,(H2,12,14,15)
InChIKeyXHPZIEDCVSBGKQ-UHFFFAOYSA-N
XLogP1.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2-fluoro-6-(pyridin-3-ylmethyl)aniline
CID 105454246
4-fluoro-2-(pyridin-3-ylmethyl)aniline
CID 105454248
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
5-fluoro-4-N-(1-pyridin-3-ylethyl)pyrimidine-2,4-diamine
CID 80778949
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348
2,4-difluoro-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62551044
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
CID 104737123
2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine
CID 79079168
4,6-dichloro-5-fluoro-2-(pyridin-3-ylmethyl)pyrimidine
CID 80550393

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 104737174) is 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine is Nc1ncc(F)c(Cc2cccnc2)n1.
What is the InChIKey of 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is XHPZIEDCVSBGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c11-8-6-14-10(12)15-9(8)4-7-2-1-3-13-5-7/h1-3,5-6H,4H2,(H2,12,14,15).
What are the key properties of 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine?
5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 204.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 104737174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).