4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine

C11H21N5 — CID 82949807

IUPAC4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)CN(C)C)nc(C)n1
InChIInChI=1S/C11H21N5/c1-8(7-16(4)5)13-11-6-10(12-3)14-9(2)15-11/h6,8H,7H2,1-5H3,(H2,12,13,14,15)
InChIKeyYFJFDZHTJSUNHG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.19
Rot. Bonds5

About 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine

4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 82949807) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID82949807
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NC(C)CN(C)C)nc(C)n1
InChIInChI=1S/C11H21N5/c1-8(7-16(4)5)13-11-6-10(12-3)14-9(2)15-11/h6,8H,7H2,1-5H3,(H2,12,13,14,15)
InChIKeyYFJFDZHTJSUNHG-UHFFFAOYSA-N
XLogP1.19
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine (CID 82949807) is 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine is CNc1cc(NC(C)CN(C)C)nc(C)n1.
What is the InChIKey of 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is YFJFDZHTJSUNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8(7-16(4)5)13-11-6-10(12-3)14-9(2)15-11/h6,8H,7H2,1-5H3,(H2,12,13,14,15).
What are the key properties of 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine?
4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 82949807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).