6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine

C7H12ClN5 — CID 57482779

IUPAC6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine
SMILESCC(C)Nc1nc(N)c(N)c(Cl)n1
InChIInChI=1S/C7H12ClN5/c1-3(2)11-7-12-5(8)4(9)6(10)13-7/h3H,9H2,1-2H3,(H3,10,11,12,13)
InChIKeyGGXFRPWRTDGLRE-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.11
Rot. Bonds2

About 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine

6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine (PubChem CID 57482779) has the molecular formula C7H12ClN5 and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine
PubChem CID57482779
Molecular FormulaC7H12ClN5
Molecular Weight201.66 g/mol
Exact Mass201.08
IUPAC Name6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine
SMILESCC(C)Nc1nc(N)c(N)c(Cl)n1
InChIInChI=1S/C7H12ClN5/c1-3(2)11-7-12-5(8)4(9)6(10)13-7/h3H,9H2,1-2H3,(H3,10,11,12,13)
InChIKeyGGXFRPWRTDGLRE-UHFFFAOYSA-N
XLogP1.11
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine?
The IUPAC name of 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine (CID 57482779) is 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine?
The canonical SMILES for 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine is CC(C)Nc1nc(N)c(N)c(Cl)n1.
What is the InChIKey of 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine?
The InChIKey is GGXFRPWRTDGLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5/c1-3(2)11-7-12-5(8)4(9)6(10)13-7/h3H,9H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine?
6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine has a molecular weight of 201.66 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-propan-2-ylpyrimidine-2,4,5-triamine is sourced from PubChem (CID 57482779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).