2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine

C12H16ClN5O — CID 82459574

IUPAC2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine
SMILESCC(C)OCCCNc1nc(Cl)nc2nccnc12
InChIInChI=1S/C12H16ClN5O/c1-8(2)19-7-3-4-15-10-9-11(16-6-5-14-9)18-12(13)17-10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17,18)
InChIKeyDGBDZYKMIYPTMI-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.30
Rot. Bonds6

About 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine

2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine (PubChem CID 82459574) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine
PubChem CID82459574
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine
SMILESCC(C)OCCCNc1nc(Cl)nc2nccnc12
InChIInChI=1S/C12H16ClN5O/c1-8(2)19-7-3-4-15-10-9-11(16-6-5-14-9)18-12(13)17-10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17,18)
InChIKeyDGBDZYKMIYPTMI-UHFFFAOYSA-N
XLogP2.30
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine?
The IUPAC name of 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine (CID 82459574) is 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine?
The canonical SMILES for 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine is CC(C)OCCCNc1nc(Cl)nc2nccnc12.
What is the InChIKey of 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine?
The InChIKey is DGBDZYKMIYPTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-8(2)19-7-3-4-15-10-9-11(16-6-5-14-9)18-12(13)17-10/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine?
2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine has a molecular weight of 281.75 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-propan-2-yloxypropyl)pteridin-4-amine is sourced from PubChem (CID 82459574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).