4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

C9H14N4 — CID 80775441

IUPAC4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C2CC2)ncn1
InChIInChI=1S/C9H14N4/c1-10-8-5-9(12-6-11-8)13(2)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11,12)
InChIKeySVIDUCOREQGYLU-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.12
Rot. Bonds3

About 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80775441) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80775441
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C2CC2)ncn1
InChIInChI=1S/C9H14N4/c1-10-8-5-9(12-6-11-8)13(2)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11,12)
InChIKeySVIDUCOREQGYLU-UHFFFAOYSA-N
XLogP1.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80775441) is 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)C2CC2)ncn1.
What is the InChIKey of 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is SVIDUCOREQGYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-10-8-5-9(12-6-11-8)13(2)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 178.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80775441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).