N-pentylsulfanylpyrimidin-2-amine

C9H15N3S — CID 88614078

IUPACN-pentylsulfanylpyrimidin-2-amine
SMILESCCCCCSNc1ncccn1
InChIInChI=1S/C9H15N3S/c1-2-3-4-8-13-12-9-10-6-5-7-11-9/h5-7H,2-4,8H2,1H3,(H,10,11,12)
InChIKeyHKIIHCAVLBDILR-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.73
Rot. Bonds6

About N-pentylsulfanylpyrimidin-2-amine

N-pentylsulfanylpyrimidin-2-amine (PubChem CID 88614078) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-pentylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-pentylsulfanylpyrimidin-2-amine
PubChem CID88614078
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-pentylsulfanylpyrimidin-2-amine
SMILESCCCCCSNc1ncccn1
InChIInChI=1S/C9H15N3S/c1-2-3-4-8-13-12-9-10-6-5-7-11-9/h5-7H,2-4,8H2,1H3,(H,10,11,12)
InChIKeyHKIIHCAVLBDILR-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.73
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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Related Compounds

N-(3-methyldecan-3-yl)pyrimidin-2-amine
CID 155123282
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
3-hexadecylsulfanyl-2-(pyrimidin-2-ylamino)propanoic acid
CID 58167654
N-pyrimidin-2-ylundecanamide
CID 4180610
N-pyrimidin-2-ylnonanamide
CID 4089811
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-pentylsulfanylhydroxylamine
CID 88662679
N-heptylsulfanylethanamine
CID 167262676
N-undecylsulfanylethanamine
CID 21248622
2-nonylpyrimidine
CID 23297050
2-(2-hexylsulfanylethyl)pyridine
CID 95562090

Frequently Asked Questions

What is the IUPAC name of N-pentylsulfanylpyrimidin-2-amine?
The IUPAC name of N-pentylsulfanylpyrimidin-2-amine (CID 88614078) is N-pentylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-pentylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-pentylsulfanylpyrimidin-2-amine is CCCCCSNc1ncccn1.
What is the InChIKey of N-pentylsulfanylpyrimidin-2-amine?
The InChIKey is HKIIHCAVLBDILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-3-4-8-13-12-9-10-6-5-7-11-9/h5-7H,2-4,8H2,1H3,(H,10,11,12).
What are the key properties of N-pentylsulfanylpyrimidin-2-amine?
N-pentylsulfanylpyrimidin-2-amine has a molecular weight of 197.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 88614078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).