1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine

C10H19N3S — CID 88617920

IUPAC1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine
SMILESCCCCCNC1N=CC=CN1SC
InChIInChI=1S/C10H19N3S/c1-3-4-5-7-11-10-12-8-6-9-13(10)14-2/h6,8-11H,3-5,7H2,1-2H3
InChIKeyFCBKZPLZKHWPLX-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.23
Rot. Bonds6

About 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine

1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine (PubChem CID 88617920) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine
PubChem CID88617920
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine
SMILESCCCCCNC1N=CC=CN1SC
InChIInChI=1S/C10H19N3S/c1-3-4-5-7-11-10-12-8-6-9-13(10)14-2/h6,8-11H,3-5,7H2,1-2H3
InChIKeyFCBKZPLZKHWPLX-UHFFFAOYSA-N
XLogP2.23
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine?
The IUPAC name of 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine (CID 88617920) is 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine is CCCCCNC1N=CC=CN1SC.
What is the InChIKey of 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine?
The InChIKey is FCBKZPLZKHWPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-4-5-7-11-10-12-8-6-9-13(10)14-2/h6,8-11H,3-5,7H2,1-2H3.
What are the key properties of 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine?
1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-pentyl-2H-pyrimidin-2-amine is sourced from PubChem (CID 88617920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).