4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

C11H21N5 — CID 80845621

IUPAC4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCCN(C)C)ncn1
InChIInChI=1S/C11H21N5/c1-12-10-8-11(14-9-13-10)16(4)7-5-6-15(2)3/h8-9H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyVTBGBTOAJXYHIZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.91
Rot. Bonds6

About 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80845621) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80845621
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)CCCN(C)C)ncn1
InChIInChI=1S/C11H21N5/c1-12-10-8-11(14-9-13-10)16(4)7-5-6-15(2)3/h8-9H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyVTBGBTOAJXYHIZ-UHFFFAOYSA-N
XLogP0.91
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80845621) is 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)CCCN(C)C)ncn1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is VTBGBTOAJXYHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-12-10-8-11(14-9-13-10)16(4)7-5-6-15(2)3/h8-9H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80845621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).