N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine

C19H24N6 — CID 133398295

IUPACN,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(N(C)CCCn2ccnc2C)c1C
InChIInChI=1S/C19H24N6/c1-14-15(2)22-18(17-6-8-20-9-7-17)23-19(14)24(4)11-5-12-25-13-10-21-16(25)3/h6-10,13H,5,11-12H2,1-4H3
InChIKeyGVWSKETWIVTXNV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.19
Rot. Bonds6

About N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine

N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133398295) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133398295
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC NameN,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(N(C)CCCn2ccnc2C)c1C
InChIInChI=1S/C19H24N6/c1-14-15(2)22-18(17-6-8-20-9-7-17)23-19(14)24(4)11-5-12-25-13-10-21-16(25)3/h6-10,13H,5,11-12H2,1-4H3
InChIKeyGVWSKETWIVTXNV-UHFFFAOYSA-N
XLogP3.19
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine (CID 133398295) is N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine is Cc1nc(-c2ccncc2)nc(N(C)CCCn2ccnc2C)c1C.
What is the InChIKey of N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is GVWSKETWIVTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-15(2)22-18(17-6-8-20-9-7-17)23-19(14)24(4)11-5-12-25-13-10-21-16(25)3/h6-10,13H,5,11-12H2,1-4H3.
What are the key properties of N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine?
N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133398295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).