5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine

C9H16N4 — CID 28814656

IUPAC5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(C)c1CN
InChIInChI=1S/C9H16N4/c1-6-8(5-10)7(2)12-9(11-6)13(3)4/h5,10H2,1-4H3
InChIKeyQIWXLMVFWXETBE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.62
Rot. Bonds2

About 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine

5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine (PubChem CID 28814656) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine
PubChem CID28814656
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine
SMILESCc1nc(N(C)C)nc(C)c1CN
InChIInChI=1S/C9H16N4/c1-6-8(5-10)7(2)12-9(11-6)13(3)4/h5,10H2,1-4H3
InChIKeyQIWXLMVFWXETBE-UHFFFAOYSA-N
XLogP0.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine?
The IUPAC name of 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine (CID 28814656) is 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine is Cc1nc(N(C)C)nc(C)c1CN.
What is the InChIKey of 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine?
The InChIKey is QIWXLMVFWXETBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6-8(5-10)7(2)12-9(11-6)13(3)4/h5,10H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine?
5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N,4,6-tetramethylpyrimidin-2-amine is sourced from PubChem (CID 28814656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).