4-[3-(dimethylamino)propoxy]pyrimidin-5-amine

C9H16N4O — CID 79919093

IUPAC4-[3-(dimethylamino)propoxy]pyrimidin-5-amine
SMILESCN(C)CCCOc1ncncc1N
InChIInChI=1S/C9H16N4O/c1-13(2)4-3-5-14-9-8(10)6-11-7-12-9/h6-7H,3-5,10H2,1-2H3
InChIKeyYTEZRUDNCNAIIY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.39
Rot. Bonds5

About 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine

4-[3-(dimethylamino)propoxy]pyrimidin-5-amine (PubChem CID 79919093) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propoxy]pyrimidin-5-amine
PubChem CID79919093
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[3-(dimethylamino)propoxy]pyrimidin-5-amine
SMILESCN(C)CCCOc1ncncc1N
InChIInChI=1S/C9H16N4O/c1-13(2)4-3-5-14-9-8(10)6-11-7-12-9/h6-7H,3-5,10H2,1-2H3
InChIKeyYTEZRUDNCNAIIY-UHFFFAOYSA-N
XLogP0.39
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxypyrimidin-5-amine
CID 79916301
4-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-5-amine
CID 79918434
5-bromo-4-[3-(dimethylamino)propoxy]pyridin-3-amine
CID 103518774
4-(2-cyclopropylethoxy)pyrimidin-5-amine
CID 106199537
4-[3-(dimethylamino)propoxy]quinazolin-7-amine
CID 65336571
N,N-dimethyl-3-pyrimidin-4-yloxypropan-1-amine
CID 123632919
2-[3-(dimethylamino)propoxy]-6-methoxypyridin-3-amine
CID 115321132
4-(1-methoxypropan-2-yloxy)pyrimidin-5-amine
CID 79916110
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541
4-(cyclopropylmethoxy)pyrimidin-5-amine
CID 79918233
6-[2-(dimethylamino)ethoxy]-5-methylpyrimidin-4-amine
CID 80871385
4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 103963698

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine?
The IUPAC name of 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine (CID 79919093) is 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine.
What is the SMILES notation for 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine?
The canonical SMILES for 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine is CN(C)CCCOc1ncncc1N.
What is the InChIKey of 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine?
The InChIKey is YTEZRUDNCNAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13(2)4-3-5-14-9-8(10)6-11-7-12-9/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine?
4-[3-(dimethylamino)propoxy]pyrimidin-5-amine has a molecular weight of 196.25 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propoxy]pyrimidin-5-amine is sourced from PubChem (CID 79919093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).