5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one

C20H20FN7O3 — CID 175757965

IUPAC5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
SMILESNC1(c2ccc3oc(=O)[nH]c3c2)N=C(Nc2ccc(C3CNCCO3)nc2)NC=C1F
InChIInChI=1S/C20H20FN7O3/c21-17-10-25-18(26-12-2-3-13(24-8-12)16-9-23-5-6-30-16)28-20(17,22)11-1-4-15-14(7-11)27-19(29)31-15/h1-4,7-8,10,16,23H,5-6,9,22H2,(H,27,29)(H2,25,26,28)
InChIKeySVLAFOKLXDBTFI-UHFFFAOYSA-N
MW425.42 g/mol
LogP1.17
Rot. Bonds3

About 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one

5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 175757965) has the molecular formula C20H20FN7O3 and a molecular weight of 425.42 g/mol. Its IUPAC name is 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
PubChem CID175757965
Molecular FormulaC20H20FN7O3
Molecular Weight425.42 g/mol
Exact Mass425.16
IUPAC Name5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
SMILESNC1(c2ccc3oc(=O)[nH]c3c2)N=C(Nc2ccc(C3CNCCO3)nc2)NC=C1F
InChIInChI=1S/C20H20FN7O3/c21-17-10-25-18(26-12-2-3-13(24-8-12)16-9-23-5-6-30-16)28-20(17,22)11-1-4-15-14(7-11)27-19(29)31-15/h1-4,7-8,10,16,23H,5-6,9,22H2,(H,27,29)(H2,25,26,28)
InChIKeySVLAFOKLXDBTFI-UHFFFAOYSA-N
XLogP1.17
TPSA142.59 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

5-[[5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
CID 46852569
5-[4-amino-5-methyl-2-[[6-(2-methyldiazetidin-1-yl)-3-pyridinyl]amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 175757944
5-[4-amino-5-methyl-2-[[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-(trifluoromethyl)-3-pyridinyl]amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 175757989
N-(5-bromo-2-pyridinyl)-6-morpholin-2-ylpyridin-3-amine
CID 123138831
5-(morpholin-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115237502
5-[amino(morpholin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116941050
4-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]benzamide
CID 144953548
5-ethyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118485076
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
3-acetyl-7-[[5-chloro-4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-2-ylchromen-2-one
CID 175080333
2-pyridin-2-ylmorpholine
CID 19353403

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one (CID 175757965) is 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one is NC1(c2ccc3oc(=O)[nH]c3c2)N=C(Nc2ccc(C3CNCCO3)nc2)NC=C1F.
What is the InChIKey of 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is SVLAFOKLXDBTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O3/c21-17-10-25-18(26-12-2-3-13(24-8-12)16-9-23-5-6-30-16)28-20(17,22)11-1-4-15-14(7-11)27-19(29)31-15/h1-4,7-8,10,16,23H,5-6,9,22H2,(H,27,29)(H2,25,26,28).
What are the key properties of 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one?
5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 425.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-5-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]-1H-pyrimidin-4-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 175757965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).