6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine

C13H25N5 — CID 83146706

IUPAC6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCC(C)C(C)(C)C)nc(N)n1
InChIInChI=1S/C13H25N5/c1-6-15-10-7-11(18-12(14)17-10)16-8-9(2)13(3,4)5/h7,9H,6,8H2,1-5H3,(H4,14,15,16,17,18)
InChIKeyTXGHYXFTJBTLJW-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.58
Rot. Bonds5

About 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine

6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine (PubChem CID 83146706) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
PubChem CID83146706
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCC(C)C(C)(C)C)nc(N)n1
InChIInChI=1S/C13H25N5/c1-6-15-10-7-11(18-12(14)17-10)16-8-9(2)13(3,4)5/h7,9H,6,8H2,1-5H3,(H4,14,15,16,17,18)
InChIKeyTXGHYXFTJBTLJW-UHFFFAOYSA-N
XLogP2.58
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(2-methoxypropyl)pyrimidine-2,4,6-triamine
CID 102701909
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-ethyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4,6-triamine
CID 80819636
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770072
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
CID 80844221
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
CID 102908872
6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888448

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine (CID 83146706) is 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine is CCNc1cc(NCC(C)C(C)(C)C)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine?
The InChIKey is TXGHYXFTJBTLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-6-15-10-7-11(18-12(14)17-10)16-8-9(2)13(3,4)5/h7,9H,6,8H2,1-5H3,(H4,14,15,16,17,18).
What are the key properties of 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine has a molecular weight of 251.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 83146706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).