4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine

C16H23N5O2 — CID 154736623

IUPAC4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC(c2nccn2C)C2CCOCC2)n1
InChIInChI=1S/C16H23N5O2/c1-11-10-13(22-3)19-16(18-11)20-14(12-4-8-23-9-5-12)15-17-6-7-21(15)2/h6-7,10,12,14H,4-5,8-9H2,1-3H3,(H,18,19,20)
InChIKeySQEBAASUVGPHTE-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.11
Rot. Bonds5

About 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine (PubChem CID 154736623) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
PubChem CID154736623
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NC(c2nccn2C)C2CCOCC2)n1
InChIInChI=1S/C16H23N5O2/c1-11-10-13(22-3)19-16(18-11)20-14(12-4-8-23-9-5-12)15-17-6-7-21(15)2/h6-7,10,12,14H,4-5,8-9H2,1-3H3,(H,18,19,20)
InChIKeySQEBAASUVGPHTE-UHFFFAOYSA-N
XLogP2.11
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridazine-3-carboxamide
CID 129487026
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 154736194
N-[(2,4-dimethoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 128976525
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483597
5-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrazine-2-carboxamide
CID 128988052
6-methyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487208
2-fluoro-4-methoxy-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]benzamide
CID 129351793
6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
CID 129483153
(1R)-N-[(1-methylbenzimidazol-5-yl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483407
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine (CID 154736623) is 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine is COc1cc(C)nc(NC(c2nccn2C)C2CCOCC2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is SQEBAASUVGPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-10-13(22-3)19-16(18-11)20-14(12-4-8-23-9-5-12)15-17-6-7-21(15)2/h6-7,10,12,14H,4-5,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 317.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 154736623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).