6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

C16H14FN5O3 — CID 53333484

IUPAC6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c2nc(N3CCOCC3)ncc2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H14FN5O3/c17-10-2-1-3-11(8-10)22-14(23)12-9-18-15(19-13(12)20-16(22)24)21-4-6-25-7-5-21/h1-3,8-9H,4-7H2,(H,18,19,20,24)
InChIKeyFSYRGWUKILRMBR-UHFFFAOYSA-N
MW343.32 g/mol
LogP0.44
Rot. Bonds2

About 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (PubChem CID 53333484) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
PubChem CID53333484
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c2nc(N3CCOCC3)ncc2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H14FN5O3/c17-10-2-1-3-11(8-10)22-14(23)12-9-18-15(19-13(12)20-16(22)24)21-4-6-25-7-5-21/h1-3,8-9H,4-7H2,(H,18,19,20,24)
InChIKeyFSYRGWUKILRMBR-UHFFFAOYSA-N
XLogP0.44
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
Pyrido[2,3-d]pyrimidin-7-one 2
CID 5330331
Pyrido[2,3-d]pyrimidin-7-one 7
CID 5330335
2-((4-Morpholin-4-ylphenyl)amino)-4-((2,3,6-trifluorobenzyl)amino)pyrimidine-5-carboxamide
CID 10321901
2-(4-Morpholin-4-ylanilino)-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 44561163
8-(2-methoxyethyl)-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330239
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 54
CID 5330240
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 55
CID 5330241
4-(Benzylamino)-2-(4-morpholinophenylamino)pyrimidine-5-carboxamide
CID 9801356
4-[(2,6-Difluorobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 10071935
4-[(2-Aminobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 23071571
4-[(2,5-Difluorobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 44561130

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CID 53333484) is 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is O=c1[nH]c2nc(N3CCOCC3)ncc2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The InChIKey is FSYRGWUKILRMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c17-10-2-1-3-11(8-10)22-14(23)12-9-18-15(19-13(12)20-16(22)24)21-4-6-25-7-5-21/h1-3,8-9H,4-7H2,(H,18,19,20,24).
What are the key properties of 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione has a molecular weight of 343.32 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-2-morpholin-4-yl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53333484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).