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

C17H21FN4 — CID 56768393

IUPAC2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCCNC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4/c1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h4-7,9,13,19H,2-3,8,10-11H2,1H3,(H,20,21,22)
InChIKeyFIXAQGTYCVUMSC-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.00
Rot. Bonds4

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

2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 56768393) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID56768393
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCCNC2)nc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN4/c1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h4-7,9,13,19H,2-3,8,10-11H2,1H3,(H,20,21,22)
InChIKeyFIXAQGTYCVUMSC-UHFFFAOYSA-N
XLogP3.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-6-(methoxymethyl)-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 56768398
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 71638559
2-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 56768328
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
CID 66285498
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 71564469

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (CID 56768393) is 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is Cc1cc(NCC2CCCNC2)nc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is FIXAQGTYCVUMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-12-9-16(20-11-13-3-2-8-19-10-13)22-17(21-12)14-4-6-15(18)7-5-14/h4-7,9,13,19H,2-3,8,10-11H2,1H3,(H,20,21,22).
What are the key properties of 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 300.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 56768393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).