2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine

C20H17F2N5O — CID 123146186

IUPAC2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine
SMILESFc1cc(Nc2cc(NC3C4COCC43)nc(-c3ccccc3F)n2)ccn1
InChIInChI=1S/C20H17F2N5O/c21-15-4-2-1-3-12(15)20-26-17(24-11-5-6-23-16(22)7-11)8-18(27-20)25-19-13-9-28-10-14(13)19/h1-8,13-14,19H,9-10H2,(H2,23,24,25,26,27)
InChIKeyBZMOXHPVJJEHLJ-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.62
Rot. Bonds5

About 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine

2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine (PubChem CID 123146186) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine
PubChem CID123146186
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine
SMILESFc1cc(Nc2cc(NC3C4COCC43)nc(-c3ccccc3F)n2)ccn1
InChIInChI=1S/C20H17F2N5O/c21-15-4-2-1-3-12(15)20-26-17(24-11-5-6-23-16(22)7-11)8-18(27-20)25-19-13-9-28-10-14(13)19/h1-8,13-14,19H,9-10H2,(H2,23,24,25,26,27)
InChIKeyBZMOXHPVJJEHLJ-UHFFFAOYSA-N
XLogP3.62
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-morpholino-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783403
4-(cyclopropylmethyl)-N-methyl-5-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
CID 57404836
N-(3,4-difluorophenyl)-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine
CID 70789681
2-(3,3-difluoropyrrolidin-1-yl)-6-(oxan-4-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyrimidin-4-amine
CID 117685509
4-(cyclopropylmethyl)-N-(oxan-4-yl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
CID 117815397
N-(oxan-3-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 124168199
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 30869391
US9670208, Example 402 4-(3-(4-fluorobenzyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 118216275
7-[(2-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 46227244
7-[(3,5-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 46227245
7-(3-Fluorobenzyl)-N-(4-morpholin-4-ylphenyl)-7Hpyrrolo[2,3-d]pyrimidin-2-amine
CID 46227254
4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 71454942

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine (CID 123146186) is 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine is Fc1cc(Nc2cc(NC3C4COCC43)nc(-c3ccccc3F)n2)ccn1.
What is the InChIKey of 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine?
The InChIKey is BZMOXHPVJJEHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c21-15-4-2-1-3-12(15)20-26-17(24-11-5-6-23-16(22)7-11)8-18(27-20)25-19-13-9-28-10-14(13)19/h1-8,13-14,19H,9-10H2,(H2,23,24,25,26,27).
What are the key properties of 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine?
2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine has a molecular weight of 381.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6-N-(2-fluoro-4-pyridinyl)-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 123146186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).