4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

C19H25N7 — CID 163318444

IUPAC4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCCn1ncnc1C(C)Nc1nccc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C19H25N7/c1-5-12-26-18(21-13-22-26)14(2)23-19-20-11-10-17(24-19)15-6-8-16(9-7-15)25(3)4/h6-11,13-14H,5,12H2,1-4H3,(H,20,23,24)
InChIKeyLTKZKWCGFITUDK-UHFFFAOYSA-N
MW351.46 g/mol
LogP3.38
Rot. Bonds7

About 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 163318444) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID163318444
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCCCn1ncnc1C(C)Nc1nccc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C19H25N7/c1-5-12-26-18(21-13-22-26)14(2)23-19-20-11-10-17(24-19)15-6-8-16(9-7-15)25(3)4/h6-11,13-14H,5,12H2,1-4H3,(H,20,23,24)
InChIKeyLTKZKWCGFITUDK-UHFFFAOYSA-N
XLogP3.38
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-fluorophenyl)-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95896744
4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
5-[1-(dimethylsulfamoylamino)ethyl]-1-propyl-1,2,4-triazole
CID 122562994
N-[2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]ethyl]acetamide
CID 162626179
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
2-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-1-pyridin-3-ylethanol
CID 163317563
N-propan-2-yl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 112744550
2-phenyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97196202
6-methyl-2-morpholin-4-yl-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 50958773
4-(2,6-dimethyl-3-pyridinyl)-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyrimidin-2-amine
CID 56870913
N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439875
N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 125439874

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (CID 163318444) is 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is CCCn1ncnc1C(C)Nc1nccc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is LTKZKWCGFITUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-5-12-26-18(21-13-22-26)14(2)23-19-20-11-10-17(24-19)15-6-8-16(9-7-15)25(3)4/h6-11,13-14H,5,12H2,1-4H3,(H,20,23,24).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 351.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 163318444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).