N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine

C11H15N5O — CID 59728070

IUPACN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine
SMILESCCN(Cc1cnc[nH]1)c1nccc(OC)n1
InChIInChI=1S/C11H15N5O/c1-3-16(7-9-6-12-8-14-9)11-13-5-4-10(15-11)17-2/h4-6,8H,3,7H2,1-2H3,(H,12,14)
InChIKeyKFAVIMMGXZFASQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.23
Rot. Bonds5

About N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine

N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine (PubChem CID 59728070) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine
PubChem CID59728070
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine
SMILESCCN(Cc1cnc[nH]1)c1nccc(OC)n1
InChIInChI=1S/C11H15N5O/c1-3-16(7-9-6-12-8-14-9)11-13-5-4-10(15-11)17-2/h4-6,8H,3,7H2,1-2H3,(H,12,14)
InChIKeyKFAVIMMGXZFASQ-UHFFFAOYSA-N
XLogP1.23
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine?
The IUPAC name of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine (CID 59728070) is N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine is CCN(Cc1cnc[nH]1)c1nccc(OC)n1.
What is the InChIKey of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is KFAVIMMGXZFASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-16(7-9-6-12-8-14-9)11-13-5-4-10(15-11)17-2/h4-6,8H,3,7H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine?
N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 233.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1H-imidazol-5-ylmethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 59728070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).