6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

C16H16N6O — CID 19709115

IUPAC6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2ncnc3cnc(NC4CC4)nc23)c1
InChIInChI=1S/C16H16N6O/c1-23-12-4-2-3-11(7-12)20-15-14-13(18-9-19-15)8-17-16(22-14)21-10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,17,21,22)(H,18,19,20)
InChIKeyQWRIKGBMNDTRRL-UHFFFAOYSA-N
MW308.35 g/mol
LogP2.75
Rot. Bonds5

About 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 19709115) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID19709115
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2ncnc3cnc(NC4CC4)nc23)c1
InChIInChI=1S/C16H16N6O/c1-23-12-4-2-3-11(7-12)20-15-14-13(18-9-19-15)8-17-16(22-14)21-10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,17,21,22)(H,18,19,20)
InChIKeyQWRIKGBMNDTRRL-UHFFFAOYSA-N
XLogP2.75
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 19709115) is 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is COc1cccc(Nc2ncnc3cnc(NC4CC4)nc23)c1.
What is the InChIKey of 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is QWRIKGBMNDTRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-23-12-4-2-3-11(7-12)20-15-14-13(18-9-19-15)8-17-16(22-14)21-10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,17,21,22)(H,18,19,20).
What are the key properties of 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 308.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 19709115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).