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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-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
SMILESCCCC1C(N(C)C)=NC(C)N=C1N(C)c1cc(CN(C)C2=NC(C)N=C(N(C)c3ccc[nH]3)N2C)co1
InChIInChI=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
InChIKeyDHVJIRVRFNVWCD-UHFFFAOYSA-N
MW522.70 g/mol
LogP3.75
Rot. Bonds6

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 Name6-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 CID123780495
Molecular FormulaC27H42N10O
Molecular Weight522.70 g/mol
Exact Mass522.35
IUPAC Name6-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
SMILESCCCC1C(N(C)C)=NC(C)N=C1N(C)c1cc(CN(C)C2=NC(C)N=C(N(C)c3ccc[nH]3)N2C)co1
InChIInChI=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
InChIKeyDHVJIRVRFNVWCD-UHFFFAOYSA-N
XLogP3.75
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.70
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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).

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