5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride

C13H24Cl2N4 — CID 139028403

IUPAC5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
SMILESCCc1cnc(N(C)CC2CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C13H22N4.2ClH/c1-3-11-8-15-13(16-9-11)17(2)10-12-4-6-14-7-5-12;;/h8-9,12,14H,3-7,10H2,1-2H3;2*1H
InChIKeyHIDLKKIXMIYKTE-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.32
Rot. Bonds4

About 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride

5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride (PubChem CID 139028403) has the molecular formula C13H24Cl2N4 and a molecular weight of 307.27 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
PubChem CID139028403
Molecular FormulaC13H24Cl2N4
Molecular Weight307.27 g/mol
Exact Mass306.14
IUPAC Name5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
SMILESCCc1cnc(N(C)CC2CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C13H22N4.2ClH/c1-3-11-8-15-13(16-9-11)17(2)10-12-4-6-14-7-5-12;;/h8-9,12,14H,3-7,10H2,1-2H3;2*1H
InChIKeyHIDLKKIXMIYKTE-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride?
The IUPAC name of 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride (CID 139028403) is 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride is CCc1cnc(N(C)CC2CCNCC2)nc1.Cl.Cl.
What is the InChIKey of 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride?
The InChIKey is HIDLKKIXMIYKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.2ClH/c1-3-11-8-15-13(16-9-11)17(2)10-12-4-6-14-7-5-12;;/h8-9,12,14H,3-7,10H2,1-2H3;2*1H.
What are the key properties of 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride?
5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride has a molecular weight of 307.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 139028403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).