6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine

C12H23N5 — CID 112746139

IUPAC6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)Nc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5/c1-6-8(7-2)14-11-16-9(12(3,4)5)15-10(13)17-11/h8H,6-7H2,1-5H3,(H3,13,14,15,16,17)
InChIKeyIGRFFCVMPDTPOH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.35
Rot. Bonds4

About 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine

6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 112746139) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID112746139
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)Nc1nc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C12H23N5/c1-6-8(7-2)14-11-16-9(12(3,4)5)15-10(13)17-11/h8H,6-7H2,1-5H3,(H3,13,14,15,16,17)
InChIKeyIGRFFCVMPDTPOH-UHFFFAOYSA-N
XLogP2.35
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine (CID 112746139) is 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine is CCC(CC)Nc1nc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is IGRFFCVMPDTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-6-8(7-2)14-11-16-9(12(3,4)5)15-10(13)17-11/h8H,6-7H2,1-5H3,(H3,13,14,15,16,17).
What are the key properties of 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).