2-chloro-N-octylpteridin-4-amine

C14H20ClN5 — CID 82459563

IUPAC2-chloro-N-octylpteridin-4-amine
SMILESCCCCCCCCNc1nc(Cl)nc2nccnc12
InChIInChI=1S/C14H20ClN5/c1-2-3-4-5-6-7-8-17-12-11-13(18-10-9-16-11)20-14(15)19-12/h9-10H,2-8H2,1H3,(H,17,18,19,20)
InChIKeyNRRPLJJQSOODHB-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.85
Rot. Bonds8

About 2-chloro-N-octylpteridin-4-amine

2-chloro-N-octylpteridin-4-amine (PubChem CID 82459563) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-chloro-N-octylpteridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-octylpteridin-4-amine
PubChem CID82459563
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name2-chloro-N-octylpteridin-4-amine
SMILESCCCCCCCCNc1nc(Cl)nc2nccnc12
InChIInChI=1S/C14H20ClN5/c1-2-3-4-5-6-7-8-17-12-11-13(18-10-9-16-11)20-14(15)19-12/h9-10H,2-8H2,1H3,(H,17,18,19,20)
InChIKeyNRRPLJJQSOODHB-UHFFFAOYSA-N
XLogP3.85
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.85
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-(3-propan-2-yloxypropyl)pteridin-4-amine
CID 82459574
4-chloro-N-hexylpteridin-2-amine
CID 82459697
2-chloro-N-(3-imidazol-1-ylpropyl)pteridin-4-amine
CID 82459615
2-chloro-N-pentyl-7-propan-2-ylpurin-6-amine
CID 82460304
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 18326380
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
5-N,6-N-dihexyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 122192878
2-chloro-7-cyclopentyl-N-pentylpurin-6-amine
CID 82460484
6-chloro-N-hexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460054
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-octylpteridin-4-amine?
The IUPAC name of 2-chloro-N-octylpteridin-4-amine (CID 82459563) is 2-chloro-N-octylpteridin-4-amine.
What is the SMILES notation for 2-chloro-N-octylpteridin-4-amine?
The canonical SMILES for 2-chloro-N-octylpteridin-4-amine is CCCCCCCCNc1nc(Cl)nc2nccnc12.
What is the InChIKey of 2-chloro-N-octylpteridin-4-amine?
The InChIKey is NRRPLJJQSOODHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-2-3-4-5-6-7-8-17-12-11-13(18-10-9-16-11)20-14(15)19-12/h9-10H,2-8H2,1H3,(H,17,18,19,20).
What are the key properties of 2-chloro-N-octylpteridin-4-amine?
2-chloro-N-octylpteridin-4-amine has a molecular weight of 293.80 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-octylpteridin-4-amine is sourced from PubChem (CID 82459563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).