N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine

C15H27N5 — CID 72912703

IUPACN-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine
SMILESCCN1CCC(CNc2nccc(C)n2)(N(C)C)CC1
InChIInChI=1S/C15H27N5/c1-5-20-10-7-15(8-11-20,19(3)4)12-17-14-16-9-6-13(2)18-14/h6,9H,5,7-8,10-12H2,1-4H3,(H,16,17,18)
InChIKeyMXZDUVPRSBQZJN-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.61
Rot. Bonds5

About N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine

N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine (PubChem CID 72912703) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine
PubChem CID72912703
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine
SMILESCCN1CCC(CNc2nccc(C)n2)(N(C)C)CC1
InChIInChI=1S/C15H27N5/c1-5-20-10-7-15(8-11-20,19(3)4)12-17-14-16-9-6-13(2)18-14/h6,9H,5,7-8,10-12H2,1-4H3,(H,16,17,18)
InChIKeyMXZDUVPRSBQZJN-UHFFFAOYSA-N
XLogP1.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine (CID 72912703) is N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine is CCN1CCC(CNc2nccc(C)n2)(N(C)C)CC1.
What is the InChIKey of N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine?
The InChIKey is MXZDUVPRSBQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-20-10-7-15(8-11-20,19(3)4)12-17-14-16-9-6-13(2)18-14/h6,9H,5,7-8,10-12H2,1-4H3,(H,16,17,18).
What are the key properties of N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine?
N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine has a molecular weight of 277.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 72912703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).