4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C8H14N4 — CID 80765054

IUPAC4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)N(C)c1cc(N)ncn1
InChIInChI=1S/C8H14N4/c1-6(2)12(3)8-4-7(9)10-5-11-8/h4-6H,1-3H3,(H2,9,10,11)
InChIKeyVHRKWCGEKNCULO-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.90
Rot. Bonds2

About 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine

4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80765054) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80765054
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)N(C)c1cc(N)ncn1
InChIInChI=1S/C8H14N4/c1-6(2)12(3)8-4-7(9)10-5-11-8/h4-6H,1-3H3,(H2,9,10,11)
InChIKeyVHRKWCGEKNCULO-UHFFFAOYSA-N
XLogP0.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80765054) is 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CC(C)N(C)c1cc(N)ncn1.
What is the InChIKey of 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is VHRKWCGEKNCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)12(3)8-4-7(9)10-5-11-8/h4-6H,1-3H3,(H2,9,10,11).
What are the key properties of 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 166.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).