4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine

C10H21N5 — CID 154292391

IUPAC4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine
SMILESCN(C)CCCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C10H21N5/c1-15(2)8-4-3-5-10(12)6-7-13-9(11)14-10/h6-7H,3-5,8,12H2,1-2H3,(H3,11,13,14)
InChIKeyZPRSPXGXWZOAGE-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.20
Rot. Bonds5

About 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine

4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154292391) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine
PubChem CID154292391
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine
SMILESCN(C)CCCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C10H21N5/c1-15(2)8-4-3-5-10(12)6-7-13-9(11)14-10/h6-7H,3-5,8,12H2,1-2H3,(H3,11,13,14)
InChIKeyZPRSPXGXWZOAGE-UHFFFAOYSA-N
XLogP-0.20
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine (CID 154292391) is 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine is CN(C)CCCCC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is ZPRSPXGXWZOAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-15(2)8-4-3-5-10(12)6-7-13-9(11)14-10/h6-7H,3-5,8,12H2,1-2H3,(H3,11,13,14).
What are the key properties of 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine?
4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 211.31 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)butyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154292391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).