N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine

C14H24N4 — CID 164635586

IUPACN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H]1CCCCN1CCN(C)Cc1cncnc1
InChIInChI=1S/C14H24N4/c1-13-5-3-4-6-18(13)8-7-17(2)11-14-9-15-12-16-10-14/h9-10,12-13H,3-8,11H2,1-2H3/t13-/m0/s1
InChIKeySWCNFSSDFNVDIJ-ZDUSSCGKSA-N
MW248.37 g/mol
LogP1.78
Rot. Bonds5

About N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine

N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 164635586) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID164635586
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H]1CCCCN1CCN(C)Cc1cncnc1
InChIInChI=1S/C14H24N4/c1-13-5-3-4-6-18(13)8-7-17(2)11-14-9-15-12-16-10-14/h9-10,12-13H,3-8,11H2,1-2H3/t13-/m0/s1
InChIKeySWCNFSSDFNVDIJ-ZDUSSCGKSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
2-[4-(Propan-2-yl)piperazin-1-yl]pyrimidine
CID 13375504
2-[4-(4-Methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 784284
1-(Pyrimidin-2-yl)piperidin-3-amine
CID 45075105
2-[4-(3-Methylcyclopentyl)piperazin-1-yl]pyrimidine
CID 2845194
N-methyl-2-piperidin-1-yl-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 46963072
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 51594519
5-{[(2-Azepan-1-ylethyl)(methyl)amino]methyl}pyrimidin-2-amine
CID 56717353
5-{[4-(Cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-YL]methyl}-N,N-dimethylpyrimidin-2-amine
CID 56869141
N,N-dimethyl-5-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}methyl)-2-pyrimidinamine
CID 70717289
N-(3-methoxypropyl)-1-methyl-N-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-4-piperidinamine
CID 70769900
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine (CID 164635586) is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine is C[C@H]1CCCCN1CCN(C)Cc1cncnc1.
What is the InChIKey of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is SWCNFSSDFNVDIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4/c1-13-5-3-4-6-18(13)8-7-17(2)11-14-9-15-12-16-10-14/h9-10,12-13H,3-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine?
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 164635586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).