6-chloro-2-N-propylpyrimidine-2,4-diamine

C7H11ClN4 — CID 19073886

IUPAC6-chloro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(N)cc(Cl)n1
InChIInChI=1S/C7H11ClN4/c1-2-3-10-7-11-5(8)4-6(9)12-7/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyFKRSOEALOKAPKF-UHFFFAOYSA-N
MW186.65 g/mol
LogP1.53
Rot. Bonds3

About 6-chloro-2-N-propylpyrimidine-2,4-diamine

6-chloro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 19073886) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is 6-chloro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-propylpyrimidine-2,4-diamine
PubChem CID19073886
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC Name6-chloro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(N)cc(Cl)n1
InChIInChI=1S/C7H11ClN4/c1-2-3-10-7-11-5(8)4-6(9)12-7/h4H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyFKRSOEALOKAPKF-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-propylpyrimidine-2,4-diamine (CID 19073886) is 6-chloro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is FKRSOEALOKAPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c1-2-3-10-7-11-5(8)4-6(9)12-7/h4H,2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 6-chloro-2-N-propylpyrimidine-2,4-diamine?
6-chloro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 186.65 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 19073886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).