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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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).