5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine

C19H23N7 — CID 133374542

IUPAC5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(-c2cccnc2)nc(NC(C)c2nnc3n2CCCC3)c1C
InChIInChI=1S/C19H23N7/c1-12-13(2)21-18(15-7-6-9-20-11-15)23-17(12)22-14(3)19-25-24-16-8-4-5-10-26(16)19/h6-7,9,11,14H,4-5,8,10H2,1-3H3,(H,21,22,23)
InChIKeyCXTVZJMVYXJKCS-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.26
Rot. Bonds4

About 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine

5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 133374542) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
PubChem CID133374542
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(-c2cccnc2)nc(NC(C)c2nnc3n2CCCC3)c1C
InChIInChI=1S/C19H23N7/c1-12-13(2)21-18(15-7-6-9-20-11-15)23-17(12)22-14(3)19-25-24-16-8-4-5-10-26(16)19/h6-7,9,11,14H,4-5,8,10H2,1-3H3,(H,21,22,23)
InChIKeyCXTVZJMVYXJKCS-UHFFFAOYSA-N
XLogP3.26
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 86794201
N-(pyridin-3-ylmethyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 43426023
3-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133492824
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
5,6-dimethyl-N-[(3R)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 96517293
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349720
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
4-methyl-2-phenyl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 126772218
3-(pyridin-3-ylmethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97089751

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine (CID 133374542) is 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(-c2cccnc2)nc(NC(C)c2nnc3n2CCCC3)c1C.
What is the InChIKey of 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is CXTVZJMVYXJKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-12-13(2)21-18(15-7-6-9-20-11-15)23-17(12)22-14(3)19-25-24-16-8-4-5-10-26(16)19/h6-7,9,11,14H,4-5,8,10H2,1-3H3,(H,21,22,23).
What are the key properties of 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine?
5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyridin-3-yl-N-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 133374542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).