6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine

C22H33FN4 — CID 134408246

IUPAC6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine
SMILESCN(C)C1N=CC(c2ccccc2F)=C(C2CCN(CC(C)(C)C)CC2)N1
InChIInChI=1S/C22H33FN4/c1-22(2,3)15-27-12-10-16(11-13-27)20-18(14-24-21(25-20)26(4)5)17-8-6-7-9-19(17)23/h6-9,14,16,21,25H,10-13,15H2,1-5H3
InChIKeyGIUQFHLRLKTIHM-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.81
Rot. Bonds4

About 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine

6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine (PubChem CID 134408246) has the molecular formula C22H33FN4 and a molecular weight of 372.53 g/mol. Its IUPAC name is 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine
PubChem CID134408246
Molecular FormulaC22H33FN4
Molecular Weight372.53 g/mol
Exact Mass372.27
IUPAC Name6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine
SMILESCN(C)C1N=CC(c2ccccc2F)=C(C2CCN(CC(C)(C)C)CC2)N1
InChIInChI=1S/C22H33FN4/c1-22(2,3)15-27-12-10-16(11-13-27)20-18(14-24-21(25-20)26(4)5)17-8-6-7-9-19(17)23/h6-9,14,16,21,25H,10-13,15H2,1-5H3
InChIKeyGIUQFHLRLKTIHM-UHFFFAOYSA-N
XLogP3.81
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine?
The IUPAC name of 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine (CID 134408246) is 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine.
What is the SMILES notation for 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine?
The canonical SMILES for 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine is CN(C)C1N=CC(c2ccccc2F)=C(C2CCN(CC(C)(C)C)CC2)N1.
What is the InChIKey of 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine?
The InChIKey is GIUQFHLRLKTIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4/c1-22(2,3)15-27-12-10-16(11-13-27)20-18(14-24-21(25-20)26(4)5)17-8-6-7-9-19(17)23/h6-9,14,16,21,25H,10-13,15H2,1-5H3.
What are the key properties of 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine?
6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine has a molecular weight of 372.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-(2-fluorophenyl)-N,N-dimethyl-1,2-dihydropyrimidin-2-amine is sourced from PubChem (CID 134408246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).