6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine

C18H21N5O2 — CID 165428045

IUPAC6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine
SMILESCOCCCn1ccnc1-c1ccc(OC)c(-c2cc(N)ncn2)c1
InChIInChI=1S/C18H21N5O2/c1-24-9-3-7-23-8-6-20-18(23)13-4-5-16(25-2)14(10-13)15-11-17(19)22-12-21-15/h4-6,8,10-12H,3,7,9H2,1-2H3,(H2,19,21,22)
InChIKeyGJEHHDKDQBZYSK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.63
Rot. Bonds7

About 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine

6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine (PubChem CID 165428045) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine
PubChem CID165428045
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine
SMILESCOCCCn1ccnc1-c1ccc(OC)c(-c2cc(N)ncn2)c1
InChIInChI=1S/C18H21N5O2/c1-24-9-3-7-23-8-6-20-18(23)13-4-5-16(25-2)14(10-13)15-11-17(19)22-12-21-15/h4-6,8,10-12H,3,7,9H2,1-2H3,(H2,19,21,22)
InChIKeyGJEHHDKDQBZYSK-UHFFFAOYSA-N
XLogP2.63
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
CID 103409739
6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
CID 82300014
4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline
CID 65175561
N-(4-methoxy-3-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106564104
formic acid;3-methoxy-6-[2-methoxy-5-[1-(2-pyridin-2-ylethyl)imidazol-2-yl]phenyl]pyridazine
CID 171708489
1-[6-[2-methoxy-5-(1-propan-2-ylimidazol-2-yl)phenyl]pyrimidin-4-yl]piperidin-4-ol
CID 166621946
1-(3-methoxypropyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559873
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-(3,4-dimethoxyphenyl)-4-(3-methoxypropyl)-5-methylsulfanyl-1,2,4-triazole
CID 60608081
6-[2-methoxy-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]pyrimidin-4-amine
CID 165425270

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine?
The IUPAC name of 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine (CID 165428045) is 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine is COCCCn1ccnc1-c1ccc(OC)c(-c2cc(N)ncn2)c1.
What is the InChIKey of 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine?
The InChIKey is GJEHHDKDQBZYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-24-9-3-7-23-8-6-20-18(23)13-4-5-16(25-2)14(10-13)15-11-17(19)22-12-21-15/h4-6,8,10-12H,3,7,9H2,1-2H3,(H2,19,21,22).
What are the key properties of 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine?
6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-5-[1-(3-methoxypropyl)imidazol-2-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 165428045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).