2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

C15H16N6O — CID 15295237

IUPAC2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCc1cccc(Nc2ncnc3cnc(NCCO)nc23)c1
InChIInChI=1S/C15H16N6O/c1-10-3-2-4-11(7-10)20-14-13-12(18-9-19-14)8-17-15(21-13)16-5-6-22/h2-4,7-9,22H,5-6H2,1H3,(H,16,17,21)(H,18,19,20)
InChIKeyGGVKEWYBTRAAKH-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.88
Rot. Bonds5

About 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 15295237) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID15295237
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCc1cccc(Nc2ncnc3cnc(NCCO)nc23)c1
InChIInChI=1S/C15H16N6O/c1-10-3-2-4-11(7-10)20-14-13-12(18-9-19-14)8-17-15(21-13)16-5-6-22/h2-4,7-9,22H,5-6H2,1H3,(H,16,17,21)(H,18,19,20)
InChIKeyGGVKEWYBTRAAKH-UHFFFAOYSA-N
XLogP1.88
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295223
6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 5328346
6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295551
4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde
CID 18967384
4-N-(3,4-dichlorophenyl)-6-N-prop-2-ynylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709364
6-(2-hydroxyethylamino)-4-(3-methylanilino)quinazolin-7-ol;6-(2-methoxyethylamino)-4-(3-methylanilino)quinazolin-7-ol
CID 157473704
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709380
4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 54064351
2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol
CID 151048437
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide
CID 19709367
4-[[4-(3-bromoanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexan-1-ol
CID 19709147

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 15295237) is 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is Cc1cccc(Nc2ncnc3cnc(NCCO)nc23)c1.
What is the InChIKey of 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is GGVKEWYBTRAAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-10-3-2-4-11(7-10)20-14-13-12(18-9-19-14)8-17-15(21-13)16-5-6-22/h2-4,7-9,22H,5-6H2,1H3,(H,16,17,21)(H,18,19,20).
What are the key properties of 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 296.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 15295237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).