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

C14H18FN5O — CID 129482295

IUPAC5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
SMILESCn1ccnc1[C@@H](Nc1ncc(F)cn1)C1CCOCC1
InChIInChI=1S/C14H18FN5O/c1-20-5-4-16-13(20)12(10-2-6-21-7-3-10)19-14-17-8-11(15)9-18-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyALQWPQMYADYNAB-LBPRGKRZSA-N
MW291.33 g/mol
LogP1.93
Rot. Bonds4

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

5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine (PubChem CID 129482295) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
PubChem CID129482295
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine
SMILESCn1ccnc1[C@@H](Nc1ncc(F)cn1)C1CCOCC1
InChIInChI=1S/C14H18FN5O/c1-20-5-4-16-13(20)12(10-2-6-21-7-3-10)19-14-17-8-11(15)9-18-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyALQWPQMYADYNAB-LBPRGKRZSA-N
XLogP1.93
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine (CID 129482295) is 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine is Cn1ccnc1[C@@H](Nc1ncc(F)cn1)C1CCOCC1.
What is the InChIKey of 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is ALQWPQMYADYNAB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-20-5-4-16-13(20)12(10-2-6-21-7-3-10)19-14-17-8-11(15)9-18-14/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine?
5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 129482295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).