N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine

C14H24N4 — CID 86777943

IUPACN-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine
SMILESCc1nccc(N2CCC(N(C)C(C)C)CC2)n1
InChIInChI=1S/C14H24N4/c1-11(2)17(4)13-6-9-18(10-7-13)14-5-8-15-12(3)16-14/h5,8,11,13H,6-7,9-10H2,1-4H3
InChIKeyPAIAOJAZLLFZJY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.09
Rot. Bonds3

About N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine

N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine (PubChem CID 86777943) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine
PubChem CID86777943
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine
SMILESCc1nccc(N2CCC(N(C)C(C)C)CC2)n1
InChIInChI=1S/C14H24N4/c1-11(2)17(4)13-6-9-18(10-7-13)14-5-8-15-12(3)16-14/h5,8,11,13H,6-7,9-10H2,1-4H3
InChIKeyPAIAOJAZLLFZJY-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,3-trimethyl-3-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603310
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154582643
2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72919107
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146079677

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine (CID 86777943) is N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine is Cc1nccc(N2CCC(N(C)C(C)C)CC2)n1.
What is the InChIKey of N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine?
The InChIKey is PAIAOJAZLLFZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)17(4)13-6-9-18(10-7-13)14-5-8-15-12(3)16-14/h5,8,11,13H,6-7,9-10H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine?
N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 86777943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).