6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine

C7H9ClN4 — CID 10511720

IUPAC6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NC1CC1
InChIInChI=1S/C7H9ClN4/c8-6-5(9)7(11-3-10-6)12-4-1-2-4/h3-4H,1-2,9H2,(H,10,11,12)
InChIKeyUOZWNOIHCDKJPY-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.29
Rot. Bonds2

About 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine

6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine (PubChem CID 10511720) has the molecular formula C7H9ClN4 and a molecular weight of 184.63 g/mol. Its IUPAC name is 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine
PubChem CID10511720
Molecular FormulaC7H9ClN4
Molecular Weight184.63 g/mol
Exact Mass184.05
IUPAC Name6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NC1CC1
InChIInChI=1S/C7H9ClN4/c8-6-5(9)7(11-3-10-6)12-4-1-2-4/h3-4H,1-2,9H2,(H,10,11,12)
InChIKeyUOZWNOIHCDKJPY-UHFFFAOYSA-N
XLogP1.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine (CID 10511720) is 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine is Nc1c(Cl)ncnc1NC1CC1.
What is the InChIKey of 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine?
The InChIKey is UOZWNOIHCDKJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4/c8-6-5(9)7(11-3-10-6)12-4-1-2-4/h3-4H,1-2,9H2,(H,10,11,12).
What are the key properties of 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine?
6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine has a molecular weight of 184.63 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclopropylpyrimidine-4,5-diamine is sourced from PubChem (CID 10511720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).