4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine

C18H24N4 — CID 108776126

IUPAC4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C18H24N4/c1-14-12-15(2)20-18(19-14)21-17-8-6-16(7-9-17)13-22-10-4-3-5-11-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,20,21)
InChIKeyGFGXEKAYWAAVNQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.82
Rot. Bonds4

About 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine

4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine (PubChem CID 108776126) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
PubChem CID108776126
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C18H24N4/c1-14-12-15(2)20-18(19-14)21-17-8-6-16(7-9-17)13-22-10-4-3-5-11-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,20,21)
InChIKeyGFGXEKAYWAAVNQ-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-4-amine
CID 108776133
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
6-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-benzimidazol-2-amine
CID 110377051
1-[(4-methylphenyl)methyl]azepane
CID 3951815
2-N-(4-ethylphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928742
2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[2,3-b]pyridin-6-amine
CID 177202491
4-methyl-6-(1H-pyrazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 141174303
3-[4-(piperidin-1-ylmethyl)anilino]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
CID 20921773
4-ethyl-2-[4-(piperidin-1-ylmethyl)anilino]-1H-pyrimidin-6-one
CID 136683576
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine (CID 108776126) is 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2ccc(CN3CCCCC3)cc2)n1.
What is the InChIKey of 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine?
The InChIKey is GFGXEKAYWAAVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-12-15(2)20-18(19-14)21-17-8-6-16(7-9-17)13-22-10-4-3-5-11-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,19,20,21).
What are the key properties of 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine?
4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 108776126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).