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

C16H21N5O — CID 171995771

IUPACN-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(CN2CCCC(Nc3ccncn3)C2)ccn1
InChIInChI=1S/C16H21N5O/c1-22-16-9-13(4-7-18-16)10-21-8-2-3-14(11-21)20-15-5-6-17-12-19-15/h4-7,9,12,14H,2-3,8,10-11H2,1H3,(H,17,19,20)
InChIKeyRXZQXZQGSIZDLB-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.96
Rot. Bonds5

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

N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 171995771) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID171995771
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(CN2CCCC(Nc3ccncn3)C2)ccn1
InChIInChI=1S/C16H21N5O/c1-22-16-9-13(4-7-18-16)10-21-8-2-3-14(11-21)20-15-5-6-17-12-19-15/h4-7,9,12,14H,2-3,8,10-11H2,1H3,(H,17,19,20)
InChIKeyRXZQXZQGSIZDLB-UHFFFAOYSA-N
XLogP1.96
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
N-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902398
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171997332
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172881471
6-methyl-N-[1-[(4-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998278
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
6-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171998279
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 62993484
N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171994913
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine (CID 171995771) is N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine is COc1cc(CN2CCCC(Nc3ccncn3)C2)ccn1.
What is the InChIKey of N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is RXZQXZQGSIZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-22-16-9-13(4-7-18-16)10-21-8-2-3-14(11-21)20-15-5-6-17-12-19-15/h4-7,9,12,14H,2-3,8,10-11H2,1H3,(H,17,19,20).
What are the key properties of N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine?
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 299.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 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]pyrimidin-4-amine is sourced from PubChem (CID 171995771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).