N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine

C17H23N5O — CID 171995780

IUPACN-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
SMILESCOc1cc(CN2CCCC(N(C)c3ncccn3)C2)ccn1
InChIInChI=1S/C17H23N5O/c1-21(17-19-7-4-8-20-17)15-5-3-10-22(13-15)12-14-6-9-18-16(11-14)23-2/h4,6-9,11,15H,3,5,10,12-13H2,1-2H3
InChIKeyRMNQYHGEKWEMPS-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.98
Rot. Bonds5

About N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine

N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 171995780) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
PubChem CID171995780
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
SMILESCOc1cc(CN2CCCC(N(C)c3ncccn3)C2)ccn1
InChIInChI=1S/C17H23N5O/c1-21(17-19-7-4-8-20-17)15-5-3-10-22(13-15)12-14-6-9-18-16(11-14)23-2/h4,6-9,11,15H,3,5,10,12-13H2,1-2H3
InChIKeyRMNQYHGEKWEMPS-UHFFFAOYSA-N
XLogP1.98
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998706
N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-4-methoxy-N-methylpyrimidin-2-amine
CID 172893375
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155974679
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333
1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 62993484
N-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-6-methoxy-N-methylpyrimidin-4-amine
CID 171999445
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171997332
(3S,4S)-1-[(2-methoxy-4-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 163309012
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-4-morpholin-4-ylpyrimidin-2-amine
CID 171996260
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine (CID 171995780) is N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine is COc1cc(CN2CCCC(N(C)c3ncccn3)C2)ccn1.
What is the InChIKey of N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is RMNQYHGEKWEMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21(17-19-7-4-8-20-17)15-5-3-10-22(13-15)12-14-6-9-18-16(11-14)23-2/h4,6-9,11,15H,3,5,10,12-13H2,1-2H3.
What are the key properties of N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine?
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 313.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 171995780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).