4-butoxypteridin-2-amine

C10H13N5O — CID 11096109

IUPAC4-butoxypteridin-2-amine
SMILESCCCCOc1nc(N)nc2nccnc12
InChIInChI=1S/C10H13N5O/c1-2-3-6-16-9-7-8(13-5-4-12-7)14-10(11)15-9/h4-5H,2-3,6H2,1H3,(H2,11,13,14,15)
InChIKeyNRHQJTUJFPMQBC-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.18
Rot. Bonds4

About 4-butoxypteridin-2-amine

4-butoxypteridin-2-amine (PubChem CID 11096109) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-butoxypteridin-2-amine.

Molecular Properties

Compound Name4-butoxypteridin-2-amine
PubChem CID11096109
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-butoxypteridin-2-amine
SMILESCCCCOc1nc(N)nc2nccnc12
InChIInChI=1S/C10H13N5O/c1-2-3-6-16-9-7-8(13-5-4-12-7)14-10(11)15-9/h4-5H,2-3,6H2,1H3,(H2,11,13,14,15)
InChIKeyNRHQJTUJFPMQBC-UHFFFAOYSA-N
XLogP1.18
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.18
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 4-butoxypteridin-2-amine?
The IUPAC name of 4-butoxypteridin-2-amine (CID 11096109) is 4-butoxypteridin-2-amine.
What is the SMILES notation for 4-butoxypteridin-2-amine?
The canonical SMILES for 4-butoxypteridin-2-amine is CCCCOc1nc(N)nc2nccnc12.
What is the InChIKey of 4-butoxypteridin-2-amine?
The InChIKey is NRHQJTUJFPMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-3-6-16-9-7-8(13-5-4-12-7)14-10(11)15-9/h4-5H,2-3,6H2,1H3,(H2,11,13,14,15).
What are the key properties of 4-butoxypteridin-2-amine?
4-butoxypteridin-2-amine has a molecular weight of 219.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxypteridin-2-amine is sourced from PubChem (CID 11096109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).