4-chloro-N-hexylpteridin-2-amine

C12H16ClN5 — CID 82459697

IUPAC4-chloro-N-hexylpteridin-2-amine
SMILESCCCCCCNc1nc(Cl)c2nccnc2n1
InChIInChI=1S/C12H16ClN5/c1-2-3-4-5-6-16-12-17-10(13)9-11(18-12)15-8-7-14-9/h7-8H,2-6H2,1H3,(H,15,16,17,18)
InChIKeyIDPVAAXDWPEQFE-UHFFFAOYSA-N
MW265.75 g/mol
LogP3.07
Rot. Bonds6

About 4-chloro-N-hexylpteridin-2-amine

4-chloro-N-hexylpteridin-2-amine (PubChem CID 82459697) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 4-chloro-N-hexylpteridin-2-amine.

Molecular Properties

Compound Name4-chloro-N-hexylpteridin-2-amine
PubChem CID82459697
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name4-chloro-N-hexylpteridin-2-amine
SMILESCCCCCCNc1nc(Cl)c2nccnc2n1
InChIInChI=1S/C12H16ClN5/c1-2-3-4-5-6-16-12-17-10(13)9-11(18-12)15-8-7-14-9/h7-8H,2-6H2,1H3,(H,15,16,17,18)
InChIKeyIDPVAAXDWPEQFE-UHFFFAOYSA-N
XLogP3.07
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 53.07
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

2-chloro-N-octylpteridin-4-amine
CID 82459563
4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
CID 134109285
N-tert-butyl-4-chloropteridin-2-amine
CID 82459701
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
CID 87963058
5-chloro-N-hexylpyrimidin-2-amine
CID 79555195
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine
CID 82459730
6-chloro-4-N-hexyl-2-N-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 5124094
4,6-dichloro-5-nitro-N-pentylpyrimidin-2-amine
CID 87963286

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hexylpteridin-2-amine?
The IUPAC name of 4-chloro-N-hexylpteridin-2-amine (CID 82459697) is 4-chloro-N-hexylpteridin-2-amine.
What is the SMILES notation for 4-chloro-N-hexylpteridin-2-amine?
The canonical SMILES for 4-chloro-N-hexylpteridin-2-amine is CCCCCCNc1nc(Cl)c2nccnc2n1.
What is the InChIKey of 4-chloro-N-hexylpteridin-2-amine?
The InChIKey is IDPVAAXDWPEQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-2-3-4-5-6-16-12-17-10(13)9-11(18-12)15-8-7-14-9/h7-8H,2-6H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-hexylpteridin-2-amine?
4-chloro-N-hexylpteridin-2-amine has a molecular weight of 265.75 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hexylpteridin-2-amine is sourced from PubChem (CID 82459697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).