4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine

C9H19N5 — CID 154232490

IUPAC4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine
SMILESCN(C)CCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C9H19N5/c1-14(2)7-3-4-9(11)5-6-12-8(10)13-9/h5-6H,3-4,7,11H2,1-2H3,(H3,10,12,13)
InChIKeyYASPJDDLGRTEAI-UHFFFAOYSA-N
MW197.29 g/mol
LogP-0.59
Rot. Bonds4

About 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine

4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154232490) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine
PubChem CID154232490
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine
SMILESCN(C)CCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C9H19N5/c1-14(2)7-3-4-9(11)5-6-12-8(10)13-9/h5-6H,3-4,7,11H2,1-2H3,(H3,10,12,13)
InChIKeyYASPJDDLGRTEAI-UHFFFAOYSA-N
XLogP-0.59
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine
CID 142779639
4-pentyl-1H-pyrimidine-2,4-diamine
CID 66819834
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69052138
1,4-dimethyl-N-propylpyrimidin-4-amine
CID 130444818
4-(2-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 141176041
1-Methyl-6-propyl-1,6-dihydropyrimidin-1-ium
CID 141949236
4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
CID 142576060
4-propyl-1H-pyrimidine-2,4-diamine
CID 143394966
4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 143492573
4-(2-methylpropyl)-1H-pyrimidine-2,4-diamine
CID 144001202
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 148096369

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine (CID 154232490) is 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine is CN(C)CCCC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is YASPJDDLGRTEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-14(2)7-3-4-9(11)5-6-12-8(10)13-9/h5-6H,3-4,7,11H2,1-2H3,(H3,10,12,13).
What are the key properties of 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine?
4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 197.29 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154232490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).