4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine

C15H28N6 — CID 142766593

IUPAC4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine
SMILESCCCCCNCc1cc(N2CC(NCC)C2)nc(N)n1
InChIInChI=1S/C15H28N6/c1-3-5-6-7-17-9-12-8-14(20-15(16)19-12)21-10-13(11-21)18-4-2/h8,13,17-18H,3-7,9-11H2,1-2H3,(H2,16,19,20)
InChIKeyAFAIEHDKFUWVJI-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.14
Rot. Bonds9

About 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine

4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine (PubChem CID 142766593) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine
PubChem CID142766593
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine
SMILESCCCCCNCc1cc(N2CC(NCC)C2)nc(N)n1
InChIInChI=1S/C15H28N6/c1-3-5-6-7-17-9-12-8-14(20-15(16)19-12)21-10-13(11-21)18-4-2/h8,13,17-18H,3-7,9-11H2,1-2H3,(H2,16,19,20)
InChIKeyAFAIEHDKFUWVJI-UHFFFAOYSA-N
XLogP1.14
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.14
H-Bond Donors ≤ 53
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-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine (CID 142766593) is 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine is CCCCCNCc1cc(N2CC(NCC)C2)nc(N)n1.
What is the InChIKey of 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine?
The InChIKey is AFAIEHDKFUWVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-3-5-6-7-17-9-12-8-14(20-15(16)19-12)21-10-13(11-21)18-4-2/h8,13,17-18H,3-7,9-11H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine?
4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 142766593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).