6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C21H34N6 — CID 11199539

IUPAC6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)CCCCNc1cc2c(NC3CCC(C)(C)CC3)ncnc2cn1
InChIInChI=1S/C21H34N6/c1-21(2)9-7-16(8-10-21)26-20-17-13-19(22-11-5-6-12-27(3)4)23-14-18(17)24-15-25-20/h13-16H,5-12H2,1-4H3,(H,22,23)(H,24,25,26)
InChIKeyUNEADUCJBQUOLV-UHFFFAOYSA-N
MW370.55 g/mol
LogP4.16
Rot. Bonds8

About 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine

6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 11199539) has the molecular formula C21H34N6 and a molecular weight of 370.55 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID11199539
Molecular FormulaC21H34N6
Molecular Weight370.55 g/mol
Exact Mass370.28
IUPAC Name6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)CCCCNc1cc2c(NC3CCC(C)(C)CC3)ncnc2cn1
InChIInChI=1S/C21H34N6/c1-21(2)9-7-16(8-10-21)26-20-17-13-19(22-11-5-6-12-27(3)4)23-14-18(17)24-15-25-20/h13-16H,5-12H2,1-4H3,(H,22,23)(H,24,25,26)
InChIKeyUNEADUCJBQUOLV-UHFFFAOYSA-N
XLogP4.16
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 11199539) is 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine is CN(C)CCCCNc1cc2c(NC3CCC(C)(C)CC3)ncnc2cn1.
What is the InChIKey of 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is UNEADUCJBQUOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6/c1-21(2)9-7-16(8-10-21)26-20-17-13-19(22-11-5-6-12-27(3)4)23-14-18(17)24-15-25-20/h13-16H,5-12H2,1-4H3,(H,22,23)(H,24,25,26).
What are the key properties of 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 370.55 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)butyl]-4-N-(4,4-dimethylcyclohexyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 11199539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).