2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

C12H11N5O — CID 90878069

IUPAC2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESO=C1NCc2cnc(Nc3ccccc3)nc2N1
InChIInChI=1S/C12H11N5O/c18-12-14-7-8-6-13-11(16-10(8)17-12)15-9-4-2-1-3-5-9/h1-6H,7H2,(H3,13,14,15,16,17,18)
InChIKeyPSQMKUGZZLSFBL-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.86
Rot. Bonds2

About 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one

2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (PubChem CID 90878069) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
PubChem CID90878069
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
SMILESO=C1NCc2cnc(Nc3ccccc3)nc2N1
InChIInChI=1S/C12H11N5O/c18-12-14-7-8-6-13-11(16-10(8)17-12)15-9-4-2-1-3-5-9/h1-6H,7H2,(H3,13,14,15,16,17,18)
InChIKeyPSQMKUGZZLSFBL-UHFFFAOYSA-N
XLogP1.86
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
CID 68578851
2-anilino-6-naphthalen-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 44632955
2-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
CID 175704639
2-methylsulfinyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one
CID 142692527
2-anilino-8-oxo-10a-phenyl-5,6,6a,7-tetrahydrobenzo[h]quinazoline-9-carbonitrile
CID 168894846
6,6-dioxo-N-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 104609529
2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 18375160
6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371057
CID 172854912
CID 172854912
2-anilino-6,8-diphenyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 10318351
4-[(6-oxo-5,7-dihydropyrimido[5,4-d][1]benzazepin-2-yl)amino]-N-phenylbenzenesulfonamide
CID 59851837
carbanide;ethane;5-methyl-2-N,4-N-diphenylpyrimidine-2,4-diamine;yttrium
CID 157300828

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one (CID 90878069) is 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is O=C1NCc2cnc(Nc3ccccc3)nc2N1.
What is the InChIKey of 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
The InChIKey is PSQMKUGZZLSFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c18-12-14-7-8-6-13-11(16-10(8)17-12)15-9-4-2-1-3-5-9/h1-6H,7H2,(H3,13,14,15,16,17,18).
What are the key properties of 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one?
2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one has a molecular weight of 241.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 90878069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).