N-(5-methylsulfanylpentyl)pyrimidin-2-amine

C10H17N3S — CID 104925501

IUPACN-(5-methylsulfanylpentyl)pyrimidin-2-amine
SMILESCSCCCCCNc1ncccn1
InChIInChI=1S/C10H17N3S/c1-14-9-4-2-3-6-11-10-12-7-5-8-13-10/h5,7-8H,2-4,6,9H2,1H3,(H,11,12,13)
InChIKeyUDXNVHJQBHMTDY-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.42
Rot. Bonds7

About N-(5-methylsulfanylpentyl)pyrimidin-2-amine

N-(5-methylsulfanylpentyl)pyrimidin-2-amine (PubChem CID 104925501) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)pyrimidin-2-amine
PubChem CID104925501
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(5-methylsulfanylpentyl)pyrimidin-2-amine
SMILESCSCCCCCNc1ncccn1
InChIInChI=1S/C10H17N3S/c1-14-9-4-2-3-6-11-10-12-7-5-8-13-10/h5,7-8H,2-4,6,9H2,1H3,(H,11,12,13)
InChIKeyUDXNVHJQBHMTDY-UHFFFAOYSA-N
XLogP2.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.42
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,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
5-iodo-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 104843854
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469
4-methoxy-N-(4-methylsulfanylbutyl)pyrimidin-2-amine
CID 115637365
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
N-(4-methylsulfanylbutyl)quinolin-6-amine
CID 103087988
4-ethoxy-6-methyl-N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 114127734
N-(4-methylsulfanylbutyl)-2-(trifluoromethyl)pyridin-4-amine
CID 114270158
5-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pentan-1-amine
CID 104923003
N-(14-azidotetradecyl)pyrimidin-2-amine
CID 71236675
N-(9-azidononyl)pyrimidin-2-amine
CID 71236787

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)pyrimidin-2-amine?
The IUPAC name of N-(5-methylsulfanylpentyl)pyrimidin-2-amine (CID 104925501) is N-(5-methylsulfanylpentyl)pyrimidin-2-amine.
What is the SMILES notation for N-(5-methylsulfanylpentyl)pyrimidin-2-amine?
The canonical SMILES for N-(5-methylsulfanylpentyl)pyrimidin-2-amine is CSCCCCCNc1ncccn1.
What is the InChIKey of N-(5-methylsulfanylpentyl)pyrimidin-2-amine?
The InChIKey is UDXNVHJQBHMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-14-9-4-2-3-6-11-10-12-7-5-8-13-10/h5,7-8H,2-4,6,9H2,1H3,(H,11,12,13).
What are the key properties of N-(5-methylsulfanylpentyl)pyrimidin-2-amine?
N-(5-methylsulfanylpentyl)pyrimidin-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)pyrimidin-2-amine is sourced from PubChem (CID 104925501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).