4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine

C10H16N4 — CID 80765650

IUPAC4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NC2CC2)n1
InChIInChI=1S/C10H16N4/c1-2-6-11-10-12-7-5-9(14-10)13-8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyKZLXBHVDKIWRJU-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.87
Rot. Bonds5

About 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80765650) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80765650
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NC2CC2)n1
InChIInChI=1S/C10H16N4/c1-2-6-11-10-12-7-5-9(14-10)13-8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyKZLXBHVDKIWRJU-UHFFFAOYSA-N
XLogP1.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine (CID 80765650) is 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NC2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is KZLXBHVDKIWRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-6-11-10-12-7-5-9(14-10)13-8-3-4-8/h5,7-8H,2-4,6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80765650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).