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

C10H19N5 — CID 116795730

IUPAC2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCCNc1nccc(N)n1
InChIInChI=1S/C10H19N5/c1-15(2)8-4-3-6-12-10-13-7-5-9(11)14-10/h5,7H,3-4,6,8H2,1-2H3,(H3,11,12,13,14)
InChIKeyMSFZBBYILYFOQS-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.81
Rot. Bonds6

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

2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine (PubChem CID 116795730) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
PubChem CID116795730
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
SMILESCN(C)CCCCNc1nccc(N)n1
InChIInChI=1S/C10H19N5/c1-15(2)8-4-3-6-12-10-13-7-5-9(11)14-10/h5,7H,3-4,6,8H2,1-2H3,(H3,11,12,13,14)
InChIKeyMSFZBBYILYFOQS-UHFFFAOYSA-N
XLogP0.81
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
CID 116795430
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
N-(2-hydrazinylpyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 80908527
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
2-N-[3-(dimethylamino)propyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112887794
2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
CID 130791698
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
4-N-(2,6-difluorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887902
N',N'-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 112887781

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine (CID 116795730) is 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine is CN(C)CCCCNc1nccc(N)n1.
What is the InChIKey of 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine?
The InChIKey is MSFZBBYILYFOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-15(2)8-4-3-6-12-10-13-7-5-9(11)14-10/h5,7H,3-4,6,8H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine?
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine has a molecular weight of 209.30 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116795730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).