2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine

C12H23N5 — CID 112906823

IUPAC2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C)nc(NCCN(C)C)n1
InChIInChI=1S/C12H23N5/c1-5-6-13-11-9-10(2)15-12(16-11)14-7-8-17(3)4/h9H,5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyLLFFJMOROGLGGF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.58
Rot. Bonds7

About 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine

2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112906823) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID112906823
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C)nc(NCCN(C)C)n1
InChIInChI=1S/C12H23N5/c1-5-6-13-11-9-10(2)15-12(16-11)14-7-8-17(3)4/h9H,5-8H2,1-4H3,(H2,13,14,15,16)
InChIKeyLLFFJMOROGLGGF-UHFFFAOYSA-N
XLogP1.58
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine (CID 112906823) is 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(C)nc(NCCN(C)C)n1.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is LLFFJMOROGLGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-6-13-11-9-10(2)15-12(16-11)14-7-8-17(3)4/h9H,5-8H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine?
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112906823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).