4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine

C8H14N4 — CID 122451973

IUPAC4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine
SMILESC=C1N=C(N)NC(=C)N1C(C)C
InChIInChI=1S/C8H14N4/c1-5(2)12-6(3)10-8(9)11-7(12)4/h5H,3-4H2,1-2H3,(H3,9,10,11)
InChIKeyPEDQOMKXBPCLPR-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.56
Rot. Bonds1

About 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine

4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine (PubChem CID 122451973) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine
PubChem CID122451973
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine
SMILESC=C1N=C(N)NC(=C)N1C(C)C
InChIInChI=1S/C8H14N4/c1-5(2)12-6(3)10-8(9)11-7(12)4/h5H,3-4H2,1-2H3,(H3,9,10,11)
InChIKeyPEDQOMKXBPCLPR-UHFFFAOYSA-N
XLogP0.56
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methylidene-1-propan-2-yl-3,4-ditritio-1,3,5-triazin-1-ium
CID 58196212
N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 58281251
(2S)-N,N,2-trimethyl-6-methylidene-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 58369957
4-Methylidene-5-propan-2-yl-1,3,5-triazin-2-amine
CID 90244098
N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-2-amine
CID 122451969
2-Methyl-1-[1-(methylamino)ethenyl]-3-propan-2-ylguanidine
CID 124199601
ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine
CID 143715487
Ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine
CID 143715882
Ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine
CID 143716034
4-butylimino-6-methylidene-1H-1,3,5-triazin-2-amine
CID 145701301
4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-3-ium-2-amine
CID 160180023
N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine
CID 161158117

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine (CID 122451973) is 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine is C=C1N=C(N)NC(=C)N1C(C)C.
What is the InChIKey of 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine?
The InChIKey is PEDQOMKXBPCLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-5(2)12-6(3)10-8(9)11-7(12)4/h5H,3-4H2,1-2H3,(H3,9,10,11).
What are the key properties of 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine?
4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine has a molecular weight of 166.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylidene-5-propan-2-yl-1H-1,3,5-triazin-2-amine is sourced from PubChem (CID 122451973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).