6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

C17H20N6 — CID 15295551

IUPAC6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(NC(C)(C)C)nc23)c1
InChIInChI=1S/C17H20N6/c1-11-6-5-7-12(8-11)21-15-14-13(19-10-20-15)9-18-16(22-14)23-17(2,3)4/h5-10H,1-4H3,(H,18,22,23)(H,19,20,21)
InChIKeyHGNXMTORIZOVCE-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.68
Rot. Bonds3

About 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 15295551) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID15295551
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(NC(C)(C)C)nc23)c1
InChIInChI=1S/C17H20N6/c1-11-6-5-7-12(8-11)21-15-14-13(19-10-20-15)9-18-16(22-14)23-17(2,3)4/h5-10H,1-4H3,(H,18,22,23)(H,19,20,21)
InChIKeyHGNXMTORIZOVCE-UHFFFAOYSA-N
XLogP3.68
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 15295551) is 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc3cnc(NC(C)(C)C)nc23)c1.
What is the InChIKey of 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is HGNXMTORIZOVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-6-5-7-12(8-11)21-15-14-13(19-10-20-15)9-18-16(22-14)23-17(2,3)4/h5-10H,1-4H3,(H,18,22,23)(H,19,20,21).
What are the key properties of 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 15295551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).