2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C9H16N4 — CID 64829275

IUPAC2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C9H16N4/c1-7(2)11-8-5-6-10-9(12-8)13(3)4/h5-7H,1-4H3,(H,10,11,12)
InChIKeyHFWPTVNKNYRKJO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.36
Rot. Bonds3

About 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 64829275) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID64829275
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C9H16N4/c1-7(2)11-8-5-6-10-9(12-8)13(3)4/h5-7H,1-4H3,(H,10,11,12)
InChIKeyHFWPTVNKNYRKJO-UHFFFAOYSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 64829275) is 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1ccnc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is HFWPTVNKNYRKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(2)11-8-5-6-10-9(12-8)13(3)4/h5-7H,1-4H3,(H,10,11,12).
What are the key properties of 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 64829275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).