5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine

C11H17FN4O — CID 164632907

IUPAC5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine
SMILESCOc1nc(N[C@H]2CCCN(C)C2)ncc1F
InChIInChI=1S/C11H17FN4O/c1-16-5-3-4-8(7-16)14-11-13-6-9(12)10(15-11)17-2/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyDLMPHCJHDXKZDG-QMMMGPOBSA-N
MW240.28 g/mol
LogP1.13
Rot. Bonds3

About 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 164632907) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine
PubChem CID164632907
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine
SMILESCOc1nc(N[C@H]2CCCN(C)C2)ncc1F
InChIInChI=1S/C11H17FN4O/c1-16-5-3-4-8(7-16)14-11-13-6-9(12)10(15-11)17-2/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)/t8-/m0/s1
InChIKeyDLMPHCJHDXKZDG-QMMMGPOBSA-N
XLogP1.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
5-Bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine
CID 16414240
2-[4-(4-Ethylpiperazin-1-YL)piperidin-1-YL]-5-fluoro-4-methoxypyrimidine
CID 129616047
5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 164630566
4-methoxy-N-(piperidin-4-yl)pyrimidin-2-amine
CID 43607806
2-Piperidyl-4-methoxy-5-fluoropyrimidine
CID 129785523
4-(5-bromo-4-methoxypyrimidin-2-yl)-N'-ethylpiperazine-1-carboximidamide
CID 86781019
5-fluoro-4-methoxy-N-[rac-(3R,4R)-4-pyrrolidin-1-yltetrahydrofuran-3-yl]pyrimidin-2-amine
CID 122557027
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-fluoro-4-methoxypyrimidin-2-amine
CID 124217019
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 125446685
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
CID 128972810
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine (CID 164632907) is 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine is COc1nc(N[C@H]2CCCN(C)C2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is DLMPHCJHDXKZDG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-16-5-3-4-8(7-16)14-11-13-6-9(12)10(15-11)17-2/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 240.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[(3S)-1-methylpiperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164632907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).