2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

C18H23FN4O — CID 56768398

IUPAC2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCC2CCCNC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O/c1-24-12-16-9-17(21-11-13-3-2-8-20-10-13)23-18(22-16)14-4-6-15(19)7-5-14/h4-7,9,13,20H,2-3,8,10-12H2,1H3,(H,21,22,23)
InChIKeyGNLRYQCVTLXKAM-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 56768398) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID56768398
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCOCc1cc(NCC2CCCNC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H23FN4O/c1-24-12-16-9-17(21-11-13-3-2-8-20-10-13)23-18(22-16)14-4-6-15(19)7-5-14/h4-7,9,13,20H,2-3,8,10-12H2,1H3,(H,21,22,23)
InChIKeyGNLRYQCVTLXKAM-UHFFFAOYSA-N
XLogP2.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 56768393
2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 56768328
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71564248
6-(methoxymethyl)-2-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 94076559
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-(4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 55062587
methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
CID 66285498
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (CID 56768398) is 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is COCc1cc(NCC2CCCNC2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is GNLRYQCVTLXKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-24-12-16-9-17(21-11-13-3-2-8-20-10-13)23-18(22-16)14-4-6-15(19)7-5-14/h4-7,9,13,20H,2-3,8,10-12H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 330.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 56768398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).