4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine

C10H17N3OS — CID 115637365

IUPAC4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
SMILESCOc1ccnc(NCCCCSC)n1
InChIInChI=1S/C10H17N3OS/c1-14-9-5-7-12-10(13-9)11-6-3-4-8-15-2/h5,7H,3-4,6,8H2,1-2H3,(H,11,12,13)
InChIKeyYLYLYNKXODHXBU-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.04
Rot. Bonds7

About 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine

4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine (PubChem CID 115637365) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
PubChem CID115637365
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
SMILESCOc1ccnc(NCCCCSC)n1
InChIInChI=1S/C10H17N3OS/c1-14-9-5-7-12-10(13-9)11-6-3-4-8-15-2/h5,7H,3-4,6,8H2,1-2H3,(H,11,12,13)
InChIKeyYLYLYNKXODHXBU-UHFFFAOYSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.04
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

N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
4-methoxy-N-[3-(2-methoxyethoxy)propyl]pyrimidin-2-amine
CID 78818903
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568
N-(4-imidazol-1-ylbutyl)-4-methoxypyrimidin-2-amine
CID 112551949
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
4-methoxy-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115628502
6-methoxy-N-(3-methylsulfanylpropyl)pyridin-2-amine
CID 63965720
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine (CID 115637365) is 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine is COc1ccnc(NCCCCSC)n1.
What is the InChIKey of 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine?
The InChIKey is YLYLYNKXODHXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-14-9-5-7-12-10(13-9)11-6-3-4-8-15-2/h5,7H,3-4,6,8H2,1-2H3,(H,11,12,13).
What are the key properties of 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine?
4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine has a molecular weight of 227.33 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 115637365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).