N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine

C10H17N3S — CID 65128593

IUPACN-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1nccc(NCC)n1
InChIInChI=1S/C10H17N3S/c1-3-7-14-8-10-12-6-5-9(13-10)11-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,12,13)
InChIKeyBXUDDXGRFNACSO-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.55
Rot. Bonds6

About N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine

N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 65128593) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
PubChem CID65128593
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1nccc(NCC)n1
InChIInChI=1S/C10H17N3S/c1-3-7-14-8-10-12-6-5-9(13-10)11-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,12,13)
InChIKeyBXUDDXGRFNACSO-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.55
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-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129176
2-[(4-chlorophenyl)sulfanylmethyl]-N-ethylpyrimidin-4-amine
CID 66144588
2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine
CID 65128120
N-ethyl-2-[(2-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66051754
N-ethyl-6-phenyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129120
2-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyrimidin-4-amine
CID 66154099
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66070463
5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66304089
N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 67325580
2-(butan-2-ylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 65141597
ethyl 2-(propylsulfanylmethyl)pyrimidine-4-carboxylate
CID 165444496
4-(butylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 62469460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (CID 65128593) is N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine is CCCSCc1nccc(NCC)n1.
What is the InChIKey of N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is BXUDDXGRFNACSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-7-14-8-10-12-6-5-9(13-10)11-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,12,13).
What are the key properties of N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 65128593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).