2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide

C15H24N6O — CID 142996700

IUPAC2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide
SMILESCCCC1=C(Cn2ccnc2C)N=CN(/N=C(\N)COC)C1
InChIInChI=1S/C15H24N6O/c1-4-5-13-8-21(19-15(16)10-22-3)11-18-14(13)9-20-7-6-17-12(20)2/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,19)
InChIKeyMPGDMCDMTVREAT-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.51
Rot. Bonds7

About 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide

2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide (PubChem CID 142996700) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide.

Molecular Properties

Compound Name2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide
PubChem CID142996700
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide
SMILESCCCC1=C(Cn2ccnc2C)N=CN(/N=C(\N)COC)C1
InChIInChI=1S/C15H24N6O/c1-4-5-13-8-21(19-15(16)10-22-3)11-18-14(13)9-20-7-6-17-12(20)2/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,19)
InChIKeyMPGDMCDMTVREAT-UHFFFAOYSA-N
XLogP1.51
TPSA81.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[6-[[2-(2-fluoropropanimidoyl)imidazol-1-yl]methyl]-5-propyl-4H-pyrimidin-3-yl]-2-(methylhydrazinylidene)ethanol
CID 142996720
but-1-ene;2-fluoroethanimine;methyl N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]carbamimidate
CID 142996610
ethane;2-fluoro-N-[(Z)-prop-1-enyl]ethanimine;propan-2-yl N-methylidene-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]carbamimidate
CID 142996677
2-fluoro-N-[(Z)-pent-1-en-4-ynyl]ethanimine;2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide
CID 142996698
ethane;2-fluoro-N-methylethanimine;N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]-2-methoxypentanimidamide;prop-1-ene
CID 142996707
1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide
CID 142996727
(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine
CID 46990062
(Z)-N-(2-methoxyethyl)-4-methyl-6-(1-methylimidazol-2-yl)hex-3-en-1-amine
CID 114532898
(2S*,6S*)-2,6-diallyl-1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-4-methyl-1,2,3,6-tetrahydropyridine
CID 133110523
2-imidazol-1-yl-N-(2-methoxyethyl)-1,5,6,7-tetrahydroquinazolin-4-amine
CID 142633393
methyl N'-[6-(imidazol-1-ylmethyl)-5-propyl-4H-pyrimidin-3-yl]carbamimidate
CID 142996611
methyl-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]cyanamide
CID 142996613

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide?
The IUPAC name of 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide (CID 142996700) is 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide.
What is the SMILES notation for 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide?
The canonical SMILES for 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide is CCCC1=C(Cn2ccnc2C)N=CN(/N=C(\N)COC)C1.
What is the InChIKey of 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide?
The InChIKey is MPGDMCDMTVREAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-5-13-8-21(19-15(16)10-22-3)11-18-14(13)9-20-7-6-17-12(20)2/h6-7,11H,4-5,8-10H2,1-3H3,(H2,16,19).
What are the key properties of 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide?
2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide has a molecular weight of 304.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]ethanimidamide is sourced from PubChem (CID 142996700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).