N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine

C17H26N6 — CID 56704039

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(C2CCCNC2)nc(C)n1
InChIInChI=1S/C17H26N6/c1-4-23-9-8-19-17(23)12-22(3)16-10-15(20-13(2)21-16)14-6-5-7-18-11-14/h8-10,14,18H,4-7,11-12H2,1-3H3
InChIKeyNVSLPGXJYFMNLS-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.10
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine

N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine (PubChem CID 56704039) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
PubChem CID56704039
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
SMILESCCn1ccnc1CN(C)c1cc(C2CCCNC2)nc(C)n1
InChIInChI=1S/C17H26N6/c1-4-23-9-8-19-17(23)12-22(3)16-10-15(20-13(2)21-16)14-6-5-7-18-11-14/h8-10,14,18H,4-7,11-12H2,1-3H3
InChIKeyNVSLPGXJYFMNLS-UHFFFAOYSA-N
XLogP2.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine (CID 56704039) is N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine is CCn1ccnc1CN(C)c1cc(C2CCCNC2)nc(C)n1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is NVSLPGXJYFMNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-4-23-9-8-19-17(23)12-22(3)16-10-15(20-13(2)21-16)14-6-5-7-18-11-14/h8-10,14,18H,4-7,11-12H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine?
N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 314.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56704039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).