N-(3-methylsulfanylpropyl)pyrimidin-4-amine

C8H13N3S — CID 63966158

IUPACN-(3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCSCCCNc1ccncn1
InChIInChI=1S/C8H13N3S/c1-12-6-2-4-10-8-3-5-9-7-11-8/h3,5,7H,2,4,6H2,1H3,(H,9,10,11)
InChIKeyIBFCXUHWMVQPDD-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.64
Rot. Bonds5

About N-(3-methylsulfanylpropyl)pyrimidin-4-amine

N-(3-methylsulfanylpropyl)pyrimidin-4-amine (PubChem CID 63966158) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)pyrimidin-4-amine
PubChem CID63966158
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-(3-methylsulfanylpropyl)pyrimidin-4-amine
SMILESCSCCCNc1ccncn1
InChIInChI=1S/C8H13N3S/c1-12-6-2-4-10-8-3-5-9-7-11-8/h3,5,7H,2,4,6H2,1H3,(H,9,10,11)
InChIKeyIBFCXUHWMVQPDD-UHFFFAOYSA-N
XLogP1.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
6-(pyrimidin-4-ylamino)hexan-1-ol
CID 107848711
N-(4-chloropentyl)pyrimidin-4-amine
CID 106124684
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 64830478
2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912235
6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63965722
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72918277
ethane;N-ethylpyrimidin-4-amine
CID 167491074
2-chloro-N-(4-methylsulfanylbutyl)pyrimidin-4-amine
CID 115695390
N-(3-methylsulfanylpropyl)pyrido[2,3-b]pyrazin-6-amine
CID 78995491
N-(3-phenylbutyl)pyrimidin-4-amine
CID 55152180

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)pyrimidin-4-amine (CID 63966158) is N-(3-methylsulfanylpropyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)pyrimidin-4-amine is CSCCCNc1ccncn1.
What is the InChIKey of N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
The InChIKey is IBFCXUHWMVQPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-12-6-2-4-10-8-3-5-9-7-11-8/h3,5,7H,2,4,6H2,1H3,(H,9,10,11).
What are the key properties of N-(3-methylsulfanylpropyl)pyrimidin-4-amine?
N-(3-methylsulfanylpropyl)pyrimidin-4-amine has a molecular weight of 183.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 63966158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).