2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine

C14H24N4 — CID 122563111

IUPAC2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1ncc(C)c(NC(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-10-9-15-12(3)17-14(10)16-11(2)13-5-7-18(4)8-6-13/h9,11,13H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyDTICHIXVOCGTDO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.24
Rot. Bonds3

About 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine

2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 122563111) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
PubChem CID122563111
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1ncc(C)c(NC(C)C2CCN(C)CC2)n1
InChIInChI=1S/C14H24N4/c1-10-9-15-12(3)17-14(10)16-11(2)13-5-7-18(4)8-6-13/h9,11,13H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyDTICHIXVOCGTDO-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine (CID 122563111) is 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine is Cc1ncc(C)c(NC(C)C2CCN(C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is DTICHIXVOCGTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10-9-15-12(3)17-14(10)16-11(2)13-5-7-18(4)8-6-13/h9,11,13H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine?
2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 122563111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).