2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine

C14H23N7 — CID 80956546

IUPAC2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2ncn(C)n2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H23N7/c1-14(2,3)13-18-11(15-4)8-12(19-13)16-7-6-10-17-9-21(5)20-10/h8-9H,6-7H2,1-5H3,(H2,15,16,18,19)
InChIKeyMMQKOXKUVZCALF-UHFFFAOYSA-N
MW289.39 g/mol
LogP1.60
Rot. Bonds5

About 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine

2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80956546) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80956546
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2ncn(C)n2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H23N7/c1-14(2,3)13-18-11(15-4)8-12(19-13)16-7-6-10-17-9-21(5)20-10/h8-9H,6-7H2,1-5H3,(H2,15,16,18,19)
InChIKeyMMQKOXKUVZCALF-UHFFFAOYSA-N
XLogP1.60
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80950114
6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80926867
6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716067
2-tert-butyl-6-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80957241
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
2-tert-butyl-4-N-[3-(diethylamino)propyl]-6-N-methylpyrimidine-4,6-diamine
CID 80956860
4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 80689575
4-N-[2-(5-bromothiophen-2-yl)ethyl]-2-tert-butyl-6-N-methylpyrimidine-4,6-diamine
CID 106043263
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
2-tert-butyl-6-N-methyl-4-N-(2-methylsulfinylethyl)pyrimidine-4,6-diamine
CID 113480692
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80688951

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 80956546) is 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine is CNc1cc(NCCc2ncn(C)n2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is MMQKOXKUVZCALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-14(2,3)13-18-11(15-4)8-12(19-13)16-7-6-10-17-9-21(5)20-10/h8-9H,6-7H2,1-5H3,(H2,15,16,18,19).
What are the key properties of 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine?
2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 289.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80956546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).