6-pentylsulfanyl-2-propylpyrimidin-4-amine

C12H21N3S — CID 107765305

IUPAC6-pentylsulfanyl-2-propylpyrimidin-4-amine
SMILESCCCCCSc1cc(N)nc(CCC)n1
InChIInChI=1S/C12H21N3S/c1-3-5-6-8-16-12-9-10(13)14-11(15-12)7-4-2/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyLPFDXAMUSXOVHN-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.29
Rot. Bonds7

About 6-pentylsulfanyl-2-propylpyrimidin-4-amine

6-pentylsulfanyl-2-propylpyrimidin-4-amine (PubChem CID 107765305) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 6-pentylsulfanyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-pentylsulfanyl-2-propylpyrimidin-4-amine
PubChem CID107765305
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name6-pentylsulfanyl-2-propylpyrimidin-4-amine
SMILESCCCCCSc1cc(N)nc(CCC)n1
InChIInChI=1S/C12H21N3S/c1-3-5-6-8-16-12-9-10(13)14-11(15-12)7-4-2/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyLPFDXAMUSXOVHN-UHFFFAOYSA-N
XLogP3.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.29
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

2-propylpyrimidine-4,6-diamine
CID 67304918
6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine
CID 80946943
4-chloro-2-ethyl-6-pentylsulfanylpyrimidine
CID 107751102
6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
4-N-methyl-6-pentylsulfanylpyrimidine-2,4-diamine
CID 107765242
N-ethyl-2-propyl-6-propylsulfanylpyrimidin-4-amine
CID 80947510
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-butylsulfanyl-6-hexylsulfanylpyridine-4-carbothioamide
CID 2754844
6-octylsulfanylpyridin-3-amine
CID 43301414
6-(2-methyloxolan-3-yl)sulfanyl-2-propylpyrimidin-4-amine
CID 107765101
6-octan-2-yloxy-2-propylpyrimidin-4-amine
CID 80949905

Frequently Asked Questions

What is the IUPAC name of 6-pentylsulfanyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-pentylsulfanyl-2-propylpyrimidin-4-amine (CID 107765305) is 6-pentylsulfanyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-pentylsulfanyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-pentylsulfanyl-2-propylpyrimidin-4-amine is CCCCCSc1cc(N)nc(CCC)n1.
What is the InChIKey of 6-pentylsulfanyl-2-propylpyrimidin-4-amine?
The InChIKey is LPFDXAMUSXOVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-5-6-8-16-12-9-10(13)14-11(15-12)7-4-2/h9H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-pentylsulfanyl-2-propylpyrimidin-4-amine?
6-pentylsulfanyl-2-propylpyrimidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentylsulfanyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 107765305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).