2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine

C17H20N8 — CID 176671055

IUPAC2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2nc(N)c3ccc(-c4ccnnc4)nc3n2)CC1
InChIInChI=1S/C17H20N8/c1-25-8-5-12(6-9-25)21-17-23-15(18)13-2-3-14(22-16(13)24-17)11-4-7-19-20-10-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H3,18,21,22,23,24)
InChIKeyXTZDOMDNQGWUDG-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.57
Rot. Bonds3

About 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine

2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 176671055) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID176671055
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCN1CCC(Nc2nc(N)c3ccc(-c4ccnnc4)nc3n2)CC1
InChIInChI=1S/C17H20N8/c1-25-8-5-12(6-9-25)21-17-23-15(18)13-2-3-14(22-16(13)24-17)11-4-7-19-20-10-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H3,18,21,22,23,24)
InChIKeyXTZDOMDNQGWUDG-UHFFFAOYSA-N
XLogP1.57
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(1-methylpiperidin-4-yl)-7-pyrimidin-5-ylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176671518
3-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
CID 176671150
7-(2-methoxyphenyl)-2-N-(1-methylpiperidin-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670682
2-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid;3-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylbenzamide
CID 176671331
1-[4-amino-7-[3-[4-amino-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-yl]cyclopentyl]-2-[(1-methylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-5-yl]ethanone
CID 176670973
S-[3-[4-amino-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-yl]phenyl]thiohydroxylamine
CID 176670683
N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
CID 54586041
N-[(3S)-piperidin-3-yl]-4-pyridazin-4-ylpyrimidin-2-amine
CID 175699091
4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4,6-triamine
CID 80780371
2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
2-N-(1-methylpiperidin-4-yl)pyrazine-2,6-diamine
CID 80648000
5-chloro-N-(1-methylpiperidin-4-yl)-4-(3-phenylphenyl)pyrimidin-2-amine
CID 172591042

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 176671055) is 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine is CN1CCC(Nc2nc(N)c3ccc(-c4ccnnc4)nc3n2)CC1.
What is the InChIKey of 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XTZDOMDNQGWUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-25-8-5-12(6-9-25)21-17-23-15(18)13-2-3-14(22-16(13)24-17)11-4-7-19-20-10-11/h2-4,7,10,12H,5-6,8-9H2,1H3,(H3,18,21,22,23,24).
What are the key properties of 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine?
2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 336.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylpiperidin-4-yl)-7-pyridazin-4-ylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 176671055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).