6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine

C27H42N10O — CID 123780495

About 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine

6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine (PubChem CID 123780495) has the molecular formula C27H42N10O and a molecular weight of 522.70 g/mol. Its IUPAC name is 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine.

Molecular Properties

• Compound Name: 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine
• PubChem CID: 123780495
• Molecular Formula: C27H42N10O
• Molecular Weight: 522.70 g/mol
• Exact Mass: 522.35
• IUPAC Name: 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine
• SMILES: CCCC1C(N(C)C)=NC(C)N=C1N(C)c1cc(CN(C)C2=NC(C)N=C(N(C)c3ccc[nH]3)N2C)co1
• InChI: InChI=1S/C27H42N10O/c1-10-12-21-24(33(4)5)29-18(2)30-25(21)36(8)23-15-20(17-38-23)16-34(6)26-31-19(3)32-27(37(26)9)35(7)22-13-11-14-28-22/h11,13-15,17-19,21,28H,10,12,16H2,1-9H3
• InChIKey: DHVJIRVRFNVWCD-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 94.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.70
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine?

The IUPAC name of 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine (CID 123780495) is 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine.

What is the SMILES notation for 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine?

The canonical SMILES for 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine is CCCC1C(N(C)C)=NC(C)N=C1N(C)c1cc(CN(C)C2=NC(C)N=C(N(C)c3ccc[nH]3)N2C)co1.

What is the InChIKey of 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine?

The InChIKey is DHVJIRVRFNVWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N10O/c1-10-12-21-24(33(4)5)29-18(2)30-25(21)36(8)23-15-20(17-38-23)16-34(6)26-31-19(3)32-27(37(26)9)35(7)22-13-11-14-28-22/h11,13-15,17-19,21,28H,10,12,16H2,1-9H3.

What are the key properties of 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine?

6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine has a molecular weight of 522.70 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[[5-[[6-(dimethylamino)-2-methyl-5-propyl-2,5-dihydropyrimidin-4-yl]-methylamino]furan-3-yl]methyl]-4-N,6-N,2,5-tetramethyl-4-N-(1H-pyrrol-2-yl)-2H-1,3,5-triazine-4,6-diamine is sourced from PubChem (CID 123780495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).