[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

C18H31N7O — CID 133420809

IUPAC[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCC(C)c1nc(N(C)C)nc(N2CCN(C(=O)C3CCCN3C)CC2)n1
InChIInChI=1S/C18H31N7O/c1-13(2)15-19-17(22(3)4)21-18(20-15)25-11-9-24(10-12-25)16(26)14-7-6-8-23(14)5/h13-14H,6-12H2,1-5H3
InChIKeyITXFIXFUSMZLBZ-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.80
Rot. Bonds4

About [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 133420809) has the molecular formula C18H31N7O and a molecular weight of 361.49 g/mol. Its IUPAC name is [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
PubChem CID133420809
Molecular FormulaC18H31N7O
Molecular Weight361.49 g/mol
Exact Mass361.26
IUPAC Name[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
SMILESCC(C)c1nc(N(C)C)nc(N2CCN(C(=O)C3CCCN3C)CC2)n1
InChIInChI=1S/C18H31N7O/c1-13(2)15-19-17(22(3)4)21-18(20-15)25-11-9-24(10-12-25)16(26)14-7-6-8-23(14)5/h13-14H,6-12H2,1-5H3
InChIKeyITXFIXFUSMZLBZ-UHFFFAOYSA-N
XLogP0.80
TPSA68.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone (CID 133420809) is [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is CC(C)c1nc(N(C)C)nc(N2CCN(C(=O)C3CCCN3C)CC2)n1.
What is the InChIKey of [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is ITXFIXFUSMZLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N7O/c1-13(2)15-19-17(22(3)4)21-18(20-15)25-11-9-24(10-12-25)16(26)14-7-6-8-23(14)5/h13-14H,6-12H2,1-5H3.
What are the key properties of [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone?
[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 361.49 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 133420809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).