3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine

C22H24N8 — CID 167697841

IUPAC3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(CCCN)c4)n3)n2)n1
InChIInChI=1S/C22H24N8/c1-16-4-2-5-20(27-16)22-25-10-7-19(29-22)13-18-6-9-24-21(28-18)12-17-14-26-30(15-17)11-3-8-23/h2,4-7,9-10,14-15H,3,8,11-13,23H2,1H3
InChIKeyXXWGMXJRZJAWTL-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.36
Rot. Bonds8

About 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine

3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine (PubChem CID 167697841) has the molecular formula C22H24N8 and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
PubChem CID167697841
Molecular FormulaC22H24N8
Molecular Weight400.49 g/mol
Exact Mass400.21
IUPAC Name3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(CCCN)c4)n3)n2)n1
InChIInChI=1S/C22H24N8/c1-16-4-2-5-20(27-16)22-25-10-7-19(29-22)13-18-6-9-24-21(28-18)12-17-14-26-30(15-17)11-3-8-23/h2,4-7,9-10,14-15H,3,8,11-13,23H2,1H3
InChIKeyXXWGMXJRZJAWTL-UHFFFAOYSA-N
XLogP2.36
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine with MolForge

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Tt-301
CID 54576073
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine (CID 167697841) is 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine is Cc1cccc(-c2nccc(Cc3ccnc(Cc4cnn(CCCN)c4)n3)n2)n1.
What is the InChIKey of 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine?
The InChIKey is XXWGMXJRZJAWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8/c1-16-4-2-5-20(27-16)22-25-10-7-19(29-22)13-18-6-9-24-21(28-18)12-17-14-26-30(15-17)11-3-8-23/h2,4-7,9-10,14-15H,3,8,11-13,23H2,1H3.
What are the key properties of 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine?
3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine has a molecular weight of 400.49 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 167697841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).