5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine

C19H21FN6O — CID 155203641

IUPAC5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCCc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccnc(F)c1
InChIInChI=1S/C19H21FN6O/c1-2-13-10-22-19(25-18(13)14-3-6-21-17(20)9-14)24-15-11-23-26(12-15)16-4-7-27-8-5-16/h3,6,9-12,16H,2,4-5,7-8H2,1H3,(H,22,24,25)
InChIKeyUWCJORCGOMRWBV-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.53
Rot. Bonds5

About 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine

5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 155203641) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID155203641
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCCc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccnc(F)c1
InChIInChI=1S/C19H21FN6O/c1-2-13-10-22-19(25-18(13)14-3-6-21-17(20)9-14)24-15-11-23-26(12-15)16-4-7-27-8-5-16/h3,6,9-12,16H,2,4-5,7-8H2,1H3,(H,22,24,25)
InChIKeyUWCJORCGOMRWBV-UHFFFAOYSA-N
XLogP3.53
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(6-chloro-3-pyridinyl)-5-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 155203798
4-N-(4-chloro-3-fluorophenyl)-5-nitro-2-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 90399156
2-(3-fluoropyrrolidin-1-yl)-5-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 90358805
4-[(2,6-difluorophenyl)methylamino]-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidine-5-carboxamide
CID 154628210
1-[4-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 155203801
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
3-cyclopropyl-4-fluoro-5-[2-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzaldehyde
CID 144699751
2-[[[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-(difluoromethyl)pyrimidin-4-yl]phenyl]-hydroxymethyl]amino]acetonitrile
CID 174360457
1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-4-[2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]propan-1-one
CID 158182268
5-(3-methylsulfonylphenyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186503
2-[5-chloro-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-(1-cyanoethyl)benzamide
CID 174217550
3-[2-[[1-(4-hydroxycyclohexyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid
CID 171472779

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine (CID 155203641) is 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is CCc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccnc(F)c1.
What is the InChIKey of 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is UWCJORCGOMRWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-2-13-10-22-19(25-18(13)14-3-6-21-17(20)9-14)24-15-11-23-26(12-15)16-4-7-27-8-5-16/h3,6,9-12,16H,2,4-5,7-8H2,1H3,(H,22,24,25).
What are the key properties of 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine?
5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 368.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-fluoro-4-pyridinyl)-N-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155203641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).