6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine

C15H19ClN4S — CID 19610676

IUPAC6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine
SMILESCCCCCc1cccnc1CSc1nc(N)cc(Cl)n1
InChIInChI=1S/C15H19ClN4S/c1-2-3-4-6-11-7-5-8-18-12(11)10-21-15-19-13(16)9-14(17)20-15/h5,7-9H,2-4,6,10H2,1H3,(H2,17,19,20)
InChIKeyPQPUAKICOFEVOS-UHFFFAOYSA-N
MW322.87 g/mol
LogP4.13
Rot. Bonds7

About 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine

6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 19610676) has the molecular formula C15H19ClN4S and a molecular weight of 322.87 g/mol. Its IUPAC name is 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID19610676
Molecular FormulaC15H19ClN4S
Molecular Weight322.87 g/mol
Exact Mass322.10
IUPAC Name6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine
SMILESCCCCCc1cccnc1CSc1nc(N)cc(Cl)n1
InChIInChI=1S/C15H19ClN4S/c1-2-3-4-6-11-7-5-8-18-12(11)10-21-15-19-13(16)9-14(17)20-15/h5,7-9H,2-4,6,10H2,1H3,(H2,17,19,20)
InChIKeyPQPUAKICOFEVOS-UHFFFAOYSA-N
XLogP4.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine
CID 150380630
6-chloro-2-[(2-cyclopentyl-3-pyridinyl)methylsulfanyl]pyrimidin-4-amine
CID 19610677
(3-pentyl-2-pyridinyl)methanol
CID 166644621
2-chloro-3-pentylpyridine
CID 54505218
2-chloro-3-dodecylpyridine
CID 54546812
2-chloro-3-hexylpyridine
CID 54056214
2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23294000
2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]pyridine-3-carboxylic acid
CID 114198323
2-dodecyl-3-ethylpyridine
CID 160514040
2-octylpyridin-3-amine
CID 23131469
2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293893
3-heptyl-2-methylpyridine
CID 134369519

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine (CID 19610676) is 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine is CCCCCc1cccnc1CSc1nc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is PQPUAKICOFEVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4S/c1-2-3-4-6-11-7-5-8-18-12(11)10-21-15-19-13(16)9-14(17)20-15/h5,7-9H,2-4,6,10H2,1H3,(H2,17,19,20).
What are the key properties of 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine?
6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 322.87 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 19610676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).