6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine

C16H22FN5O — CID 129483153

IUPAC6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@@H](c2nccn2C)C2CCOCC2)c1F
InChIInChI=1S/C16H22FN5O/c1-3-12-13(17)15(20-10-19-12)21-14(11-4-8-23-9-5-11)16-18-6-7-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyPEGYHFSRTGTKJR-CQSZACIVSA-N
MW319.38 g/mol
LogP2.49
Rot. Bonds5

About 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine (PubChem CID 129483153) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
PubChem CID129483153
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@@H](c2nccn2C)C2CCOCC2)c1F
InChIInChI=1S/C16H22FN5O/c1-3-12-13(17)15(20-10-19-12)21-14(11-4-8-23-9-5-11)16-18-6-7-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyPEGYHFSRTGTKJR-CQSZACIVSA-N
XLogP2.49
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-ethyl-N-[(1-ethylimidazol-2-yl)-(oxan-4-yl)methyl]-5-fluoropyrimidin-4-amine
CID 128979366
6-ethyl-5-fluoro-N-[(R)-[(3S)-oxolan-3-yl]-phenylmethyl]pyrimidin-4-amine
CID 124884243
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 154736194
2-(4-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]acetamide
CID 128988115
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092
(1S)-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 129483872
4-ethyl-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-2-carboxamide
CID 129487085
4-methoxy-6-methyl-N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
CID 154736623
6-ethyl-5-fluoro-N-[(2S)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]pyrimidin-4-amine
CID 125136142
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-(oxan-4-yl)methanamine
CID 129483597
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
4-[[[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]amino]methyl]benzonitrile
CID 128976489

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine (CID 129483153) is 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine is CCc1ncnc(N[C@@H](c2nccn2C)C2CCOCC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is PEGYHFSRTGTKJR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-3-12-13(17)15(20-10-19-12)21-14(11-4-8-23-9-5-11)16-18-6-7-22(16)2/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 319.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 129483153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).