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

C13H21FN4O — CID 125447893

IUPAC5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCC[C@H]2CCCN(C)C2)ncc1F
InChIInChI=1S/C13H21FN4O/c1-18-7-3-4-10(9-18)5-6-15-13-16-8-11(14)12(17-13)19-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)/t10-/m1/s1
InChIKeyNDDPKARAEZXSAG-SNVBAGLBSA-N
MW268.34 g/mol
LogP1.77
Rot. Bonds5

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

5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine (PubChem CID 125447893) has the molecular formula C13H21FN4O and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
PubChem CID125447893
Molecular FormulaC13H21FN4O
Molecular Weight268.34 g/mol
Exact Mass268.17
IUPAC Name5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCC[C@H]2CCCN(C)C2)ncc1F
InChIInChI=1S/C13H21FN4O/c1-18-7-3-4-10(9-18)5-6-15-13-16-8-11(14)12(17-13)19-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)/t10-/m1/s1
InChIKeyNDDPKARAEZXSAG-SNVBAGLBSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
4-ethoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447536
4-Methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
CID 126835232
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
5-fluoro-4-methoxy-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129621022
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine (CID 125447893) is 5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine is COc1nc(NCC[C@H]2CCCN(C)C2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine?
The InChIKey is NDDPKARAEZXSAG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21FN4O/c1-18-7-3-4-10(9-18)5-6-15-13-16-8-11(14)12(17-13)19-2/h8,10H,3-7,9H2,1-2H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of 5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine has a molecular weight of 268.34 g/mol, XLogP of 1.77, 5 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-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 125447893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).