N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine

C14H24N4 — CID 55152111

IUPACN-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
SMILESCc1ccnc(N2CCC(CNC(C)C)CC2)n1
InChIInChI=1S/C14H24N4/c1-11(2)16-10-13-5-8-18(9-6-13)14-15-7-4-12(3)17-14/h4,7,11,13,16H,5-6,8-10H2,1-3H3
InChIKeyLGNBKPNDCBDYSE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.00
Rot. Bonds4

About N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine

N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 55152111) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID55152111
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine
SMILESCc1ccnc(N2CCC(CNC(C)C)CC2)n1
InChIInChI=1S/C14H24N4/c1-11(2)16-10-13-5-8-18(9-6-13)14-15-7-4-12(3)17-14/h4,7,11,13,16H,5-6,8-10H2,1-3H3
InChIKeyLGNBKPNDCBDYSE-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
2-[4-(ethoxymethyl)piperidin-1-yl]-4-methylpyrimidine
CID 133310058
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 63390343
2-[3-(fluoromethyl)pyrrolidin-1-yl]-4-methylpyrimidine
CID 163347848
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
N-methyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 62958741
3-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 62959980
N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592660
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63853871

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine (CID 55152111) is N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine is Cc1ccnc(N2CCC(CNC(C)C)CC2)n1.
What is the InChIKey of N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is LGNBKPNDCBDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)16-10-13-5-8-18(9-6-13)14-15-7-4-12(3)17-14/h4,7,11,13,16H,5-6,8-10H2,1-3H3.
What are the key properties of N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55152111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).