4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

C13H11FN6 — CID 118209477

IUPAC4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccnc(F)c2)n1
InChIInChI=1S/C13H11FN6/c1-20-12(4-7-17-20)19-13-16-6-3-10(18-13)9-2-5-15-11(14)8-9/h2-8H,1H3,(H,16,18,19)
InChIKeyCCRACUQLURPMQO-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.15
Rot. Bonds3

About 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine

4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 118209477) has the molecular formula C13H11FN6 and a molecular weight of 270.27 g/mol. Its IUPAC name is 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID118209477
Molecular FormulaC13H11FN6
Molecular Weight270.27 g/mol
Exact Mass270.10
IUPAC Name4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
SMILESCn1nccc1Nc1nccc(-c2ccnc(F)c2)n1
InChIInChI=1S/C13H11FN6/c1-20-12(4-7-17-20)19-13-16-6-3-10(18-13)9-2-5-15-11(14)8-9/h2-8H,1H3,(H,16,18,19)
InChIKeyCCRACUQLURPMQO-UHFFFAOYSA-N
XLogP2.15
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 163423794
4-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145343991
N-(2-methylpyrazol-3-yl)-4-[3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]pyrimidin-2-amine
CID 118216988
1-(3-chloro-2-fluorophenoxy)-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 175460522
1,1,1,3,3,3-hexafluoro-2-[[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propan-2-ol
CID 122619900
N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 118216820
(1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 118216904
1,1,1-trifluoro-3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
CID 118216593
3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 134217102
4-[3-[(4-ethoxy-2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216811
4-[3-(4-fluoro-2-methylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 129190620
4-[3-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118217024

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine (CID 118209477) is 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is Cn1nccc1Nc1nccc(-c2ccnc(F)c2)n1.
What is the InChIKey of 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is CCRACUQLURPMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6/c1-20-12(4-7-17-20)19-13-16-6-3-10(18-13)9-2-5-15-11(14)8-9/h2-8H,1H3,(H,16,18,19).
What are the key properties of 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine?
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 270.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 118209477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).