6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine

C12H23N5 — CID 115266385

IUPAC6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(NC(C)(C)CN)nc(C)n1
InChIInChI=1S/C12H23N5/c1-6-17(5)11-7-10(14-9(2)15-11)16-12(3,4)8-13/h7H,6,8,13H2,1-5H3,(H,14,15,16)
InChIKeyVEZMJBIIWDFXEF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.39
Rot. Bonds5

About 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine

6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 115266385) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID115266385
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCN(C)c1cc(NC(C)(C)CN)nc(C)n1
InChIInChI=1S/C12H23N5/c1-6-17(5)11-7-10(14-9(2)15-11)16-12(3,4)8-13/h7H,6,8,13H2,1-5H3,(H,14,15,16)
InChIKeyVEZMJBIIWDFXEF-UHFFFAOYSA-N
XLogP1.39
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine (CID 115266385) is 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine is CCN(C)c1cc(NC(C)(C)CN)nc(C)n1.
What is the InChIKey of 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is VEZMJBIIWDFXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-6-17(5)11-7-10(14-9(2)15-11)16-12(3,4)8-13/h7H,6,8,13H2,1-5H3,(H,14,15,16).
What are the key properties of 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine?
6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 115266385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).