4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine

C12H26N6 — CID 150484580

IUPAC4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
SMILESCNCCNC1=CC(N)(CC(C)(C)C)N=C(N)N1
InChIInChI=1S/C12H26N6/c1-11(2,3)8-12(14)7-9(16-6-5-15-4)17-10(13)18-12/h7,15-16H,5-6,8,14H2,1-4H3,(H3,13,17,18)
InChIKeyHUNMXAYTHILXFX-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.35
Rot. Bonds5

About 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine

4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine (PubChem CID 150484580) has the molecular formula C12H26N6 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
PubChem CID150484580
Molecular FormulaC12H26N6
Molecular Weight254.38 g/mol
Exact Mass254.22
IUPAC Name4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
SMILESCNCCNC1=CC(N)(CC(C)(C)C)N=C(N)N1
InChIInChI=1S/C12H26N6/c1-11(2,3)8-12(14)7-9(16-6-5-15-4)17-10(13)18-12/h7,15-16H,5-6,8,14H2,1-4H3,(H3,13,17,18)
InChIKeyHUNMXAYTHILXFX-UHFFFAOYSA-N
XLogP-0.35
TPSA100.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine (CID 150484580) is 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine is CNCCNC1=CC(N)(CC(C)(C)C)N=C(N)N1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine?
The InChIKey is HUNMXAYTHILXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N6/c1-11(2,3)8-12(14)7-9(16-6-5-15-4)17-10(13)18-12/h7,15-16H,5-6,8,14H2,1-4H3,(H3,13,17,18).
What are the key properties of 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine?
4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine has a molecular weight of 254.38 g/mol, XLogP of -0.35, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-N-[2-(methylamino)ethyl]-1H-pyrimidine-2,4,6-triamine is sourced from PubChem (CID 150484580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).