2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C18H26N6O — CID 171997332

IUPAC2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1cc(CN2CCCC(Nc3nccc(N(C)C)n3)C2)ccn1
InChIInChI=1S/C18H26N6O/c1-23(2)16-7-9-20-18(22-16)21-15-5-4-10-24(13-15)12-14-6-8-19-17(11-14)25-3/h6-9,11,15H,4-5,10,12-13H2,1-3H3,(H,20,21,22)
InChIKeyVONPNGGUWKSNHQ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.02
Rot. Bonds6

About 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 171997332) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID171997332
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCOc1cc(CN2CCCC(Nc3nccc(N(C)C)n3)C2)ccn1
InChIInChI=1S/C18H26N6O/c1-23(2)16-7-9-20-18(22-16)21-15-5-4-10-24(13-15)12-14-6-8-19-17(11-14)25-3/h6-9,11,15H,4-5,10,12-13H2,1-3H3,(H,20,21,22)
InChIKeyVONPNGGUWKSNHQ-UHFFFAOYSA-N
XLogP2.02
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N-dimethyl-2-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172893174
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171995771
2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171996730
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171995992
4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881622
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725
4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 125435533
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
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-N-methylpyrimidin-2-amine
CID 171995780
4-(azepan-1-yl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086216

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 171997332) is 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is COc1cc(CN2CCCC(Nc3nccc(N(C)C)n3)C2)ccn1.
What is the InChIKey of 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is VONPNGGUWKSNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-23(2)16-7-9-20-18(22-16)21-15-5-4-10-24(13-15)12-14-6-8-19-17(11-14)25-3/h6-9,11,15H,4-5,10,12-13H2,1-3H3,(H,20,21,22).
What are the key properties of 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 342.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 171997332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).