5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine

C13H18ClN7 — CID 171659684

IUPAC5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine
SMILESCN1CCC(c2nnc(-c3nc(N)ncc3Cl)n2C)CC1
InChIInChI=1S/C13H18ClN7/c1-20-5-3-8(4-6-20)11-18-19-12(21(11)2)10-9(14)7-16-13(15)17-10/h7-8H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyKFWCSVGTONRGCB-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.32
Rot. Bonds2

About 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine

5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine (PubChem CID 171659684) has the molecular formula C13H18ClN7 and a molecular weight of 307.79 g/mol. Its IUPAC name is 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine
PubChem CID171659684
Molecular FormulaC13H18ClN7
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine
SMILESCN1CCC(c2nnc(-c3nc(N)ncc3Cl)n2C)CC1
InChIInChI=1S/C13H18ClN7/c1-20-5-3-8(4-6-20)11-18-19-12(21(11)2)10-9(14)7-16-13(15)17-10/h7-8H,3-6H2,1-2H3,(H2,15,16,17)
InChIKeyKFWCSVGTONRGCB-UHFFFAOYSA-N
XLogP1.32
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 171659458
CID 171659458
5-chloro-4-[5-(4-methoxy-1-methylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]pyrimidin-2-amine;oxan-3-ol
CID 171661090
5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 171661066
4-(2-chloro-3-methylimidazol-4-yl)-1-methylpiperidine
CID 117259842
5-(1-methylpiperidin-4-yl)pyrazine-2,3-diamine
CID 67362960
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
5-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 80811968
5-chloro-4-[1-(1-cyclopropylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 171660645
5-chloro-4-(1'-methylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659961
4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
CID 80817865
5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659515
4-methyl-5-(1-methylpiperidin-4-yl)-1,3-oxazol-2-amine
CID 116831783

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine (CID 171659684) is 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine is CN1CCC(c2nnc(-c3nc(N)ncc3Cl)n2C)CC1.
What is the InChIKey of 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine?
The InChIKey is KFWCSVGTONRGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7/c1-20-5-3-8(4-6-20)11-18-19-12(21(11)2)10-9(14)7-16-13(15)17-10/h7-8H,3-6H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine?
5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine has a molecular weight of 307.79 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171659684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).