2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol

C19H22N6O — CID 151048437

IUPAC2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol
SMILESCc1cccc(Nc2ncnc3cnc(N4CCCCC4(C)O)nc23)c1
InChIInChI=1S/C19H22N6O/c1-13-6-5-7-14(10-13)23-17-16-15(21-12-22-17)11-20-18(24-16)25-9-4-3-8-19(25,2)26/h5-7,10-12,26H,3-4,8-9H2,1-2H3,(H,21,22,23)
InChIKeyMDPHLGWWKNGKQE-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.17
Rot. Bonds3

About 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol

2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol (PubChem CID 151048437) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol
PubChem CID151048437
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol
SMILESCc1cccc(Nc2ncnc3cnc(N4CCCCC4(C)O)nc23)c1
InChIInChI=1S/C19H22N6O/c1-13-6-5-7-14(10-13)23-17-16-15(21-12-22-17)11-20-18(24-16)25-9-4-3-8-19(25,2)26/h5-7,10-12,26H,3-4,8-9H2,1-2H3,(H,21,22,23)
InChIKeyMDPHLGWWKNGKQE-UHFFFAOYSA-N
XLogP3.17
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 5328346
N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]acetamide
CID 19709367
methyl N-[1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]carbamate
CID 19709382
6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295551
6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295223
2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 15295237
4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]piperidine-1-carbaldehyde
CID 18967384
4-N-(3-methylphenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137318
[4-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]-(3,7,7-trimethyl-2-pyrrolidin-1-yl-1-bicyclo[4.1.0]heptanyl)methanone
CID 172692535
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-(3-methylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489390
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol?
The IUPAC name of 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol (CID 151048437) is 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol.
What is the SMILES notation for 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol?
The canonical SMILES for 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol is Cc1cccc(Nc2ncnc3cnc(N4CCCCC4(C)O)nc23)c1.
What is the InChIKey of 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol?
The InChIKey is MDPHLGWWKNGKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-6-5-7-14(10-13)23-17-16-15(21-12-22-17)11-20-18(24-16)25-9-4-3-8-19(25,2)26/h5-7,10-12,26H,3-4,8-9H2,1-2H3,(H,21,22,23).
What are the key properties of 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol?
2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol has a molecular weight of 350.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-2-ol is sourced from PubChem (CID 151048437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).